Vitas-M small molecule compound
2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK003698
SMILES COc1cc(ccc1OC(=O)c1cccs1)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C23H18N2O4S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4S/c1-15-18(22(26)25(24-15)17-7-4-3-5-8-17)13-16-10-11-19(20(14-16)28-2)29-23(27)21-9-6-12-30-21/h3-14H,1-2H3/b18-13+InChIKey
YFEPGYRICPOBQF-QGOAFFKASA-NSynonyms
6191-79-3(2METHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
2METHOXY4((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
6191793
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=CC=C4
COc1cc(ccc1OC(=O)c1cccs1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC23H18N2O4Sc11518(22(26)25(2415)177435817)1316101119(20(1416)282)2923(27)2196123021h314H12H3b1813+
MFCD02219048
STK003698
ZINC000100270865
ZINC100270865
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