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-hydroxy-3-oxo-3,4-dihydroquinoxalin-6-yl)butanamide
Catalog ID
STL547583
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)[nH]c(=O)c(n3)O)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 C33H35N5O8 MW 629.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N5O8/c1-17(39)35-22-10-7-18-14-27(44-2)30(45-3)31(46-4)29(18)20-9-12-24(26(40)16-21(20)22)34-13-5-6-28(41)36-19-8-11-23-25(15-19)38-33(43)32(42)37-23/h8-9,11-12,14-16,22H,5-7,10,13H2,1-4H3,(H,34,40)(H,35,39)(H,36,41)(H,37,42)(H,38,43)/t22-/InChIKey
JXXSUHVMXZLYCG-QFIPXVFZSA-NSynonyms
121541744
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dioxo14dihydroquinoxalin6yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2hydroxy3oxo34dihydroquinoxalin6yl)butanamide
InChI=1SC33H35N5O8c117(39)3522107181427(442)30(453)31(464)29(18)2091224(26(40)1621(20)22)34135628(41)36198112325(1519)3833(43)32(42)3723h891112141622H571013H214H3(H3440)(H3539)(H3641)(H3742)(H3843)t22m0s1
ZINC000263585548
ZINC263585548
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