Vitas-M small molecule compound

methyl 7-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

Catalog ID
STL179596
SMILES COC(=O)c1cc(nc2c1c(=O)nc(n2c1cccc(c1)C)S)c1ccc2c(c1)OCO2

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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 C23H17N3O5S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5S/c1-12-4-3-5-14(8-12)26-20-19(21(27)25-23(26)32)15(22(28)29-2)10-16(24-20)13-6-7-17-18(9-13)31-11-30-17/h3-10H,11H2,1-2H3,(H,25,27,32)
InChIKey
JVPXHHYOATXERG-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)N2C3=C(C(=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)OC)C(=O)NC2=S
InChI=1SC23H17N3O5Sc11243514(812)262019(21(27)2523(26)32)15(22(28)292)1016(2420)13671718(913)31113017h310H11H212H3(H252732)
methyl7(13benzodioxol5yl)1(3methylphenyl)4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylate
methyl7(13benzodioxol5yl)1(3methylphenyl)4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylate
MFCD09473079
ZINC000020605315
ZINC20605315

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Available files

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