Vitas-M small molecule compound
ethyl 8,8-dimethyl-5-phenyl-1-{[(phenylcarbonyl)carbamothioyl]amino}-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Catalog ID
STK721671
SMILES CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)c1CC(C)(C)OCc1c(n2)c1ccccc1
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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 C29H27N3O4S2 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S2/c1-4-35-27(34)24-23(31-28(37)32-25(33)18-13-9-6-10-14-18)21-19-15-29(2,3)36-16-20(19)22(30-26(21)38-24)17-11-7-5-8-12-17/h5-14H,4,15-16H2,1-3H3,(H2,31,32,33,37)InChIKey
BWVWGYPQXKLCQD-UHFFFAOYSA-NSynonyms
578747-88-3578747883
CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)C4=CC=CC=C4)(C)C)NC(=S)NC(=O)C5=CC=CC=C5
ethyl1(3benzoylthioureido)88dimethyl5phenyl89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
ethyl88dimethyl5phenyl1(((phenylcarbonyl)carbamothioyl)amino)89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
InChI=1SC29H27N3O4S2c143527(34)2423(3128(37)3225(33)181396101418)21191529(23)361620(19)22(3026(21)3824)17117581217h514H41516H213H3(H231323337)
MFCD04024587
ZINC000097953931
ZINC97953931
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