Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK798865
SMILES COc1ccc(cc1C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)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 C34H27ClN4O2S MW 591.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27ClN4O2S/c1-23-19-24(13-18-32(23)41-2)33-25(21-38(37-33)27-9-5-3-6-10-27)20-30-31(22-42-29-16-14-26(35)15-17-29)36-39(34(30)40)28-11-7-4-8-12-28/h3-21H,22H2,1-2H3/b30-20-InChIKey
AWVKDTJLCOIRPD-COEJQBHMSA-NSynonyms
(4Z)5(((4chlorophenyl)sulfanyl)methyl)4((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)4((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl)C6=CC=CC=C6)OC
COc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)c1ccccc1
InChI=1SC34H27ClN4O2Sc1231924(131832(23)412)3325(2138(3733)2795361027)203031(224229161426(35)151729)3639(34(30)40)28117481228h321H22H212H3b3020
MFCD03462110
ZINC000100839475
ZINC100839475
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