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-[1-methyl-2-(propan-2-yl)-1H-benzimidazol-5-yl]hexanamide
Catalog ID
STL547431
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2ccc3c(c2)nc(n3C)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C38H47N5O6 MW 669.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N5O6/c1-22(2)38-42-30-20-25(13-17-31(30)43(38)4)41-34(46)11-9-8-10-18-39-29-16-14-26-27(21-32(29)45)28(40-23(3)44)15-12-24-19-33(47-5)36(48-6)37(49-7)35(24)26/h13-14,16-17,19-22,28H,8-12,15,18H2,1-7H3,(H,39,45)(H,40,44)(H,41,46)/t28-/m0/s1InChIKey
VZSFAKUMCCCIQJ-NDEPHWFRSA-NSynonyms
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isopropyl1methyl1Hbenzo(d)imidazol5yl)hexanamide
121541472
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methyl2propan2ylbenzimidazol5yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl2(propan2yl)1Hbenzimidazol5yl)hexanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2ccc3c(c2)nc(n3C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC38H47N5O6c122(2)3842302025(131731(30)43(38)4)4134(46)11981018392916142627(2132(29)45)28(4023(3)44)1512241933(475)36(486)37(497)35(24)26h13141617192228H8121518H217H3(H3945)(H4044)(H4146)t28m0s1
ZINC000263586590
ZINC263586590
Check stock
See real-time availability and sample size for STL547431 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.