Vitas-M small molecule compound
propan-2-yl 2-(butylsulfanyl)-7-methyl-5-(3-methylthiophen-2-yl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981028
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1sccc1C)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 C21H27N3O3S2 MW 433.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S2/c1-6-7-9-29-21-23-18-16(19(25)24-21)15(17-12(4)8-10-28-17)14(13(5)22-18)20(26)27-11(2)3/h8,10-11,15H,6-7,9H2,1-5H3,(H2,22,23,24,25)InChIKey
WKGDLDJEFKCQGH-UHFFFAOYSA-NSynonyms
924026-36-8924026368
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=C(C=CS3)C)C(=O)OC(C)C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1sccc1C)C(=O)OC(C)C)C
InChI=1SC21H27N3O3S2c16792921231816(19(25)2421)15(1712(4)8102817)14(13(5)2218)20(26)2711(2)3h8101115H679H215H3(H222232425)
MFCD08488645
propan2yl2(butylsulfanyl)7methyl5(3methylthiophen2yl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl2butylsulfanyl7methyl5(3methylthiophen2yl)4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000013117839
ZINC000013117840
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