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

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-L-isoleucinamide

Catalog ID
STL549629
SMILES CC[C@H]([C@@H](C(=O)Nc1nnc(s1)C1CCC1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C33H41N5O6S MW 635.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N5O6S/c1-7-17(2)28(31(41)36-33-38-37-32(45-33)19-9-8-10-19)35-24-14-12-21-22(16-25(24)40)23(34-18(3)39)13-11-20-15-26(42-4)29(43-5)30(44-6)27(20)21/h12,14-17,19,23,28H,7-11,13H2,1-6H3,(H,34,39)(H,35,40)(H,36,38,41)/t17-,23+,28+/m1/s1
InChIKey
WDWSWDMUUUEQBT-JBKUBBTJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5cyclobutyl134thiadiazol2yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5cyclobutyl134thiadiazol2yl)3methylpentanamide
127253609
CC(C@H)((C@@H)(C(=O)Nc1nnc(s1)C1CCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H41N5O6Sc1717(2)28(31(41)3633383732(4533)19981019)352414122122(1625(24)40)23(3418(3)39)1311201526(424)29(435)30(446)27(20)21h121417192328H71113H216H3(H3439)(H3540)(H363841)t1723+28+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5cyclobutyl134thiadiazol2yl)Lisoleucinamide
ZINC000604405089
ZINC604405089

Check stock

See real-time availability and sample size for STL549629 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