Vitas-M small molecule compound
1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Catalog ID
STL179728
SMILES Cc1cccc(c1)n1c(S)nc(=O)c2c1nc(cc2C(=O)O)c1cccc(c1)[N+](=O)[O-]
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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 C21H14N4O5S MW 434.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O5S/c1-11-4-2-6-13(8-11)24-18-17(19(26)23-21(24)31)15(20(27)28)10-16(22-18)12-5-3-7-14(9-12)25(29)30/h2-10H,1H3,(H,27,28)(H,23,26,31)InChIKey
XKSXCDSBDZGTCF-UHFFFAOYSA-NSynonyms
1011390-88-71(3methylphenyl)7(3nitrophenyl)4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylicacid
1(3methylphenyl)7(3nitrophenyl)4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylicacid
1011390887
CC1=CC(=CC=C1)N2C3=C(C(=CC(=N3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)O)C(=O)NC2=S
Cc1cccc(c1)n1c(S)nc(=O)c2c1nc(cc2C(=O)O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H14N4O5Sc11142613(811)241817(19(26)2321(24)31)15(20(27)28)1016(2218)1253714(912)25(29)30h210H1H3(H2728)(H232631)
MFCD09473139
ZINC000020605722
ZINC20605722
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