Vitas-M small molecule compound
propan-2-yl 5-(4-chlorophenyl)-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980944
SMILES CCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)Cl)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 C21H24ClN3O3S MW 433.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3O3S/c1-5-10-29-21-24-18-17(19(26)25-21)16(13-6-8-14(22)9-7-13)15(12(4)23-18)20(27)28-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H2,23,24,25,26)InChIKey
LLZPJPNRLOJOSC-UHFFFAOYSA-NSynonyms
CCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)Cl)C(=O)OC(C)C)C
CCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)Cl)C(=O)OC(C)C)C
InChI=1SC21H24ClN3O3Sc15102921241817(19(26)2521)16(136814(22)9713)15(12(4)2318)20(27)2811(2)3h691116H510H214H3(H223242526)
MFCD08256074
propan2yl5(4chlorophenyl)7methyl4oxo2(propylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl5(4chlorophenyl)7methyl4oxo2propylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000013112491
ZINC000013112492
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