Vitas-M small molecule compound
prop-2-en-1-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981083
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)C(=O)OC)c(=O)[nH]c(n2)SCC=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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-5-11-31-22(29)16-13(3)24-19-18(20(27)26-23(25-19)32-12-6-2)17(16)14-7-9-15(10-8-14)21(28)30-4/h5-10,17H,1-2,11-12H2,3-4H3,(H2,24,25,26,27)InChIKey
FWNFDQGECQOHHV-UHFFFAOYSA-NSynonyms
878625-37-7878625377
C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)C(=O)OC)c(=O)(nH)c(n2)SCC=C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC=C)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC=C
InChI=1SC23H23N3O5Sc15113122(29)1613(3)241918(20(27)2623(2519)321262)17(16)147915(10814)21(28)304h51017H121112H234H3(H224252627)
MFCD08262267
prop2en1yl5(4(methoxycarbonyl)phenyl)7methyl4oxo2(prop2en1ylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl5(4methoxycarbonylphenyl)7methyl4oxo2prop2enylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000100951320
ZINC000100951323
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