Vitas-M small molecule compound
prop-2-en-1-yl 7-methyl-4-oxo-5-phenyl-2-(propylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981080
SMILES CCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccccc1)C(=O)OCC=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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-4-11-27-20(26)15-13(3)22-18-17(16(15)14-9-7-6-8-10-14)19(25)24-21(23-18)28-12-5-2/h4,6-10,16H,1,5,11-12H2,2-3H3,(H2,22,23,24,25)InChIKey
HZDKTEVZTULIGK-UHFFFAOYSA-NSynonyms
CCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3)C(=O)OCC=C)C
CCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccccc1)C(=O)OCC=C)C
InChI=1SC21H23N3O3Sc14112720(26)1513(3)221817(16(15)1497681014)19(25)2421(2318)281252h461016H151112H223H3(H222232425)
MFCD07691331
prop2en1yl7methyl4oxo5phenyl2(propylsulfanyl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl7methyl4oxo5phenyl2propylsulfanyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000007738228
ZINC000007738229
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