Vitas-M small molecule compound
methyl 2-{[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Catalog ID
STK540564
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3)C
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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/c1-12-7-6-8-14(11-12)23-19(24)17-15-9-4-5-10-16(15)28-18(17)22-21(23)27-13(2)20(25)26-3/h6-8,11,13H,4-5,9-10H2,1-3H3InChIKey
ZURGLVKZCQDNAR-UHFFFAOYSA-NSynonyms
384800-75-3384800753
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CCCC4
InChI=1SC21H22N2O3S2c11276814(1112)2319(24)17159451016(15)2818(17)2221(23)2713(2)20(25)263h681113H45910H213H3
methyl2((3(3methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((3(3methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((4oxo3(mtolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD03284466
ZINC000002318946
ZINC000002318947
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