Vitas-M small molecule compound
methyl (2Z)-2-[(4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL542728
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1C
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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 C31H36N4O8S MW 624.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O8S/c1-16-27(30(39)43-6)35-31(44-16)34-25(38)8-7-13-32-22-12-10-19-20(15-23(22)37)21(33-17(2)36)11-9-18-14-24(40-3)28(41-4)29(42-5)26(18)19/h10,12,14-15,21H,7-9,11,13H2,1-6H3,(H,32,37)(H,33,36)(H,34,35,38)InChIKey
PJADEAOKZXTTDK-UHFFFAOYSA-NSynonyms
110209656
InChI=1SC31H36N4O8Sc11627(30(39)436)3531(4416)3425(38)8713322212101920(1523(22)37)21(3317(2)36)119181424(403)28(414)29(425)26(18)19h1012141521H791113H216H3(H3237)(H3336)(H343538)
methyl(2Z)2((4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2(4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)5methyl13thiazole4carboxylate
MFCD31755699
ZINC000108451432
ZINC000252540397
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