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)benzamide

Catalog ID
STL547384
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)C(=O)N)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 C33H38N4O7 MW 602.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N4O7/c1-17(2)29(33(41)36-21-10-7-19(8-11-21)32(34)40)37-25-14-12-22-23(16-26(25)39)24(35-18(3)38)13-9-20-15-27(42-4)30(43-5)31(44-6)28(20)22/h7-8,10-12,14-17,24,29H,9,13H2,1-6H3,(H2,34,40)(H,35,38)(H,36,41)(H,37,39)/t24-,29-/m0/s1
InChIKey
XGYNPLCKGNGLSN-OUTSHDOLSA-N
Synonyms

110207988
4(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)benzamide
4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)amino)benzamide
4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)benzamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc(cc2)C(=O)N)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H38N4O7c117(2)29(33(41)362110719(81121)32(34)40)372514122223(1626(25)39)24(3518(3)38)139201527(424)30(435)31(446)28(20)22h78101214172429H913H216H3(H23440)(H3538)(H3641)(H3739)t2429m0s1
ZINC000253414379
ZINC253414379

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Available files

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