Vitas-M small molecule compound
4-({(Z)-[1-(3-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid
Catalog ID
STL372477
SMILES COc1cccc(c1)N1C(=S)NC(=O)/C(=C/Nc2ccc(cc2)C(=O)O)/C1=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 C19H15N3O5S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O5S/c1-27-14-4-2-3-13(9-14)22-17(24)15(16(23)21-19(22)28)10-20-12-7-5-11(6-8-12)18(25)26/h2-10,20H,1H3,(H,25,26)(H,21,23,28)/b15-10-InChIKey
WPEYCWDARRYKMF-GDNBJRDFSA-NSynonyms
4(((Z)(1(3METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
4(((Z)(1(3methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
COC1=CC=CC(=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=O)NC2=S
COc1cccc(c1)N1C(=S)NC(=O)C(=CNc2ccc(cc2)C(=O)O)C1=O
InChI=1SC19H15N3O5Sc1271442313(914)2217(24)15(16(23)2119(22)28)1020127511(6812)18(25)26h21020H1H3(H2526)(H212328)b1510
MFCD03994322
ZINC000020235133
ZINC20235133
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