Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide

Catalog ID
STL541638
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCc2nccs2)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 C30H36N4O6S MW 580.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O6S/c1-18(35)34-22-9-7-19-16-25(38-2)29(39-3)30(40-4)28(19)20-8-10-23(24(36)17-21(20)22)31-12-5-6-26(37)32-13-11-27-33-14-15-41-27/h8,10,14-17,22H,5-7,9,11-13H2,1-4H3,(H,31,36)(H,32,37)(H,34,35)/t22-/m0/s1
InChIKey
KQQOJZLJDLIGMH-QFIPXVFZSA-N
Synonyms
1574293-85-8
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(thiazol2yl)ethyl)butanamide
1574293858
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(13thiazol2yl)ethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(13thiazol2yl)ethyl)butanamide
75492600
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCCc2nccs2)NC(=O)C)cc(c1OC)OC
InChI=1SC30H36N4O6Sc118(35)342297191625(382)29(393)30(404)28(19)2081023(24(36)1721(20)22)31125626(37)321311273314154127h810141722H5791113H214H3(H3136)(H3237)(H3435)t22m0s1
ZINC000108451613
ZINC108451613

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Available files

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