Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK821506
SMILES COc1ccc(cc1)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 C33H25ClN4O2S MW 577.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25ClN4O2S/c1-40-28-16-12-23(13-17-28)32-24(21-37(36-32)26-8-4-2-5-9-26)20-30-31(22-41-29-18-14-25(34)15-19-29)35-38(33(30)39)27-10-6-3-7-11-27/h2-21H,22H2,1H3/b30-20-InChIKey
PTZLNSJHPRKBES-COEJQBHMSA-NSynonyms
(4Z)5(((4chlorophenyl)sulfanyl)methyl)4((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4chlorophenyl)sulfanylmethyl)4((3(4methoxyphenyl)1phenylpyrazol4yl)methylidene)2phenylpyrazol3one
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl)C6=CC=CC=C6
COc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl)c1ccccc1
InChI=1SC33H25ClN4O2Sc14028161223(131728)3224(2137(3632)268425926)203031(224129181425(34)151929)3538(33(30)39)27106371127h221H22H21H3b3020
MFCD03462851
ZINC000097946934
ZINC97946934
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