Vitas-M small molecule compound
propan-2-yl 7-methyl-4-oxo-5-phenyl-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981076
SMILES CCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccccc1)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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-5-11-28-21-23-18-17(19(25)24-21)16(14-9-7-6-8-10-14)15(13(4)22-18)20(26)27-12(2)3/h6-10,12,16H,5,11H2,1-4H3,(H2,22,23,24,25)InChIKey
LEBVDRUYTSKOFY-UHFFFAOYSA-NSynonyms
878625-15-1878625151
CCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3)C(=O)OC(C)C)C
CCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccccc1)C(=O)OC(C)C)C
InChI=1SC21H25N3O3Sc15112821231817(19(25)2421)16(1497681014)15(13(4)2218)20(26)2712(2)3h6101216H511H214H3(H222232425)
MFCD08262257
propan2yl7methyl4oxo5phenyl2(propylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl7methyl4oxo5phenyl2propylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000008346022
ZINC000008346023
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