Vitas-M small molecule compound

4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}amino)butanoic acid

Catalog ID
STL543391
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCC(=O)O)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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-16(2)27(30(38)31-13-7-8-25(36)37)33-22-12-10-19-20(15-23(22)35)21(32-17(3)34)11-9-18-14-24(39-4)28(40-5)29(41-6)26(18)19/h10,12,14-16,21,27H,7-9,11,13H2,1-6H3,(H,31,38)(H,32,34)(H,33,35)(H,36,37)/t21-,27-/m0/s1
InChIKey
XKCDLVBYMDOCMB-IDISGSTGSA-N
Synonyms

110206929
4(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)butanoicacid
4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)amino)butanoicacid
4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)butanoicacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCC(=O)O)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC30H39N3O8c116(2)27(30(38)31137825(36)37)332212101920(1523(22)35)21(3217(3)34)119181424(394)28(405)29(416)26(18)19h101214162127H791113H216H3(H3138)(H3234)(H3335)(H3637)t2127m0s1
ZINC000253414402
ZINC253414402

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Available files

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