Vitas-M small molecule compound
(4Z)-4-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK798870
SMILES COc1ccc(cc1C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
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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 C35H30N4O2S MW 570.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O2S/c1-24-14-17-30(18-15-24)42-23-32-31(35(40)39(36-32)29-12-8-5-9-13-29)21-27-22-38(28-10-6-4-7-11-28)37-34(27)26-16-19-33(41-3)25(2)20-26/h4-22H,23H2,1-3H3/b31-21-InChIKey
SUHGRDVURODZKJ-YQYKVWLJSA-NSynonyms
(4Z)4((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC(=C(C=C4)OC)C)C5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC35H30N4O2Sc124141730(181524)42233231(35(40)39(3632)29128591329)21272238(28106471128)3734(27)26161933(413)25(2)2026h422H23H213H3b3121
MFCD03462115
ZINC000100839477
ZINC100839477
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