Vitas-M small molecule compound
prop-2-en-1-yl 5-(3-fluorophenyl)-7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980960
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1cccc(c1)F)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 C22H24FN3O3S MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN3O3S/c1-5-9-29-21(28)16-13(4)24-19-18(17(16)14-7-6-8-15(23)10-14)20(27)26-22(25-19)30-11-12(2)3/h5-8,10,12,17H,1,9,11H2,2-4H3,(H2,24,25,26,27)InChIKey
WQQNGHFHSGICFJ-UHFFFAOYSA-NSynonyms
924111-38-6924111386
C=CCOC(=O)C1=C(C)Nc2c(C1c1cccc(c1)F)c(=O)(nH)c(n2)SCC(C)C
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC(C)C)C3=CC(=CC=C3)F)C(=O)OCC=C
InChI=1SC22H24FN3O3Sc1592921(28)1613(4)241918(17(16)1476815(23)1014)20(27)2622(2519)301112(2)3h58101217H1911H224H3(H224252627)
MFCD08488654
prop2en1yl5(3fluorophenyl)7methyl2((2methylpropyl)sulfanyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl5(3fluorophenyl)7methyl2(2methylpropylsulfanyl)4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000100951249
ZINC000100951252
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