Vitas-M small molecule compound
ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981071
SMILES CCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(=O)OC)C(=O)OCC)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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-5-11-31-22-24-18-17(19(26)25-22)16(15(12(3)23-18)21(28)30-6-2)13-7-9-14(10-8-13)20(27)29-4/h7-10,16H,5-6,11H2,1-4H3,(H2,23,24,25,26)InChIKey
CSTXBVOOIHKUBI-UHFFFAOYSA-NSynonyms
878905-22-7878905227
CCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)C(=O)OC)C(=O)OCC)C
CCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(=O)OC)C(=O)OCC)C
ethyl5(4(methoxycarbonyl)phenyl)7methyl4oxo2(propylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
ethyl5(4methoxycarbonylphenyl)7methyl4oxo2propylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
InChI=1SC22H25N3O5Sc15113122241817(19(26)2522)16(15(12(3)2318)21(28)3062)137914(10813)20(27)294h71016H5611H214H3(H223242526)
MFCD08262273
ZINC000013114411
ZINC000013114412
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