Vitas-M small molecule compound
propan-2-yl 7-methyl-5-(3-methylphenyl)-4-oxo-2-(prop-2-en-1-ylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981079
SMILES C=CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1cccc(c1)C)C(=O)OC(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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-6-10-29-22-24-19-18(20(26)25-22)17(15-9-7-8-13(4)11-15)16(14(5)23-19)21(27)28-12(2)3/h6-9,11-12,17H,1,10H2,2-5H3,(H2,23,24,25,26)InChIKey
MCJUGCKKDRJNBX-UHFFFAOYSA-NSynonyms
C=CCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1cccc(c1)C)C(=O)OC(C)C)C
CC1=CC=CC(=C1)C2C3=C(NC(=C2C(=O)OC(C)C)C)NC(=NC3=O)SCC=C
InChI=1SC22H25N3O3Sc16102922241918(20(26)2522)17(1597813(4)1115)16(14(5)2319)21(27)2812(2)3h69111217H110H225H3(H223242526)
MFCD08256065
propan2yl7methyl5(3methylphenyl)4oxo2(prop2en1ylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl7methyl5(3methylphenyl)4oxo2prop2enylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000007990940
ZINC000007990941
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