Vitas-M small molecule compound

(4Z)-4-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK821501
SMILES COc1ccc(cc1)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 C34H28N4O2S MW 556.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O2S/c1-24-13-19-30(20-14-24)41-23-32-31(34(39)38(35-32)28-11-7-4-8-12-28)21-26-22-37(27-9-5-3-6-10-27)36-33(26)25-15-17-29(40-2)18-16-25/h3-22H,23H2,1-2H3/b31-21-
InChIKey
RGZJHVVQPBAWQO-YQYKVWLJSA-N
Synonyms

(4Z)4((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4methoxyphenyl)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)C5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC34H28N4O2Sc124131930(201424)41233231(34(39)38(3532)28117481228)21262237(2795361027)3633(26)25151729(402)181625h322H23H212H3b3121
MFCD03462848
ZINC000097946931
ZINC97946931

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Available files

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