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-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL544298
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1c1ccccc1
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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 C36H38N4O8S MW 686.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N4O8S/c1-20(41)38-25-15-13-22-18-28(45-2)32(46-3)33(47-4)30(22)23-14-16-26(27(42)19-24(23)25)37-17-9-12-29(43)39-36-40-31(35(44)48-5)34(49-36)21-10-7-6-8-11-21/h6-8,10-11,14,16,18-19,25H,9,12-13,15,17H2,1-5H3,(H,37,42)(H,38,41)(H,39,40,43)InChIKey
AYIQEJCDNSIPBO-UHFFFAOYSA-NSynonyms
110209837
InChI=1SC36H38N4O8Sc120(41)38251513221828(452)32(463)33(474)30(22)23141626(27(42)1924(23)25)371791229(43)39364031(35(44)485)34(4936)21107681121h6810111416181925H912131517H215H3(H3742)(H3841)(H394043)
methyl(2Z)2((4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2(4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)5phenyl13thiazole4carboxylate
MFCD31756022
ZINC000150653383
ZINC000253535668
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