VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]hexanamide

Catalog ID
STL548644
SMILES CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C38H47N5O6S MW 701.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N5O6S/c1-23(44)40-27-16-14-24-21-33(47-2)36(48-3)37(49-4)35(24)25-15-17-30(32(45)22-26(25)27)39-19-10-6-7-13-34(46)41-31(18-20-50-5)38-42-28-11-8-9-12-29(28)43-38/h8-9,11-12,15,17,21-22,27,31H,6-7,10,13-14,16,18-20H2,1-5H3,(H,39,45)(H,40,44
InChIKey
HCIGUTIDTAKZFC-DHIFEGFHSA-N
Synonyms

121541099
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylsulfanylpropyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)hexanamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H47N5O6Sc123(44)40271614242133(472)36(483)37(494)35(24)25151730(32(45)2226(25)27)391910671334(46)4131(1820505)38422811891229(28)4338h891112151721222731H67101314161820H215H3(H3945)(H4044)(H4146)(H4243)t2731m0s1
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamide
ZINC000263585297
ZINC263585297

Check stock

See real-time availability and sample size for STL548644 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS