Vitas-M small molecule compound
methyl 2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Catalog ID
STK532271
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccccc1C)CC(OC3)(C)C)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 C22H24N2O4S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S2/c1-12-8-6-7-9-15(12)24-19(25)17-14-10-22(3,4)28-11-16(14)30-18(17)23-21(24)29-13(2)20(26)27-5/h6-9,13H,10-11H2,1-5H3InChIKey
PKSZEBNADUJRLI-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CC(OC4)(C)C
InChI=1SC22H24N2O4S2c112867915(12)2419(25)17141022(34)281116(14)3018(17)2321(24)2913(2)20(26)275h6913H1011H215H3
methyl2((66dimethyl3(2methylphenyl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((66dimethyl3(2methylphenyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
methyl2((66dimethyl4oxo3(otolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD02993131
ZINC000001247320
ZINC000001247321
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