Vitas-M small molecule compound
ethyl {[3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK722266
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCCC3
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-3-26-17(24)12-27-21-22-19-18(14-9-5-7-11-16(14)28-19)20(25)23(21)15-10-6-4-8-13(15)2/h4,6,8,10H,3,5,7,9,11-12H2,1-2H3InChIKey
HWJBXKBITCIOEA-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4C
ethyl((3(2methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(2methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3(otolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC21H22N2O3S2c132617(24)122721221918(149571116(14)2819)20(25)23(21)151064813(15)2h46810H35791112H212H3
MFCD02993075
ZINC000000986162
ZINC00986162
ZINC986162
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