Vitas-M small molecule compound
prop-2-en-1-yl 5-(4-chlorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980959
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)Cl)c(=O)[nH]c(n2)SCC(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 C22H24ClN3O3S MW 445.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3S/c1-5-10-29-21(28)16-13(4)24-19-18(17(16)14-6-8-15(23)9-7-14)20(27)26-22(25-19)30-11-12(2)3/h5-9,12,17H,1,10-11H2,2-4H3,(H2,24,25,26,27)InChIKey
IHHYPVVWIYZTOJ-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)Cl)c(=O)(nH)c(n2)SCC(C)C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC(C)C)C3=CC=C(C=C3)Cl)C(=O)OCC=C
InChI=1SC22H24ClN3O3Sc15102921(28)1613(4)241918(17(16)146815(23)9714)20(27)2622(2519)301112(2)3h591217H11011H224H3(H224252627)
MFCD08262247
prop2en1yl5(4chlorophenyl)7methyl2((2methylpropyl)sulfanyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl5(4chlorophenyl)7methyl2(2methylpropylsulfanyl)4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000101238389
ZINC000101238391
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