Vitas-M small molecule compound
(4Z)-4-(4-tert-butylbenzylidene)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK001424
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)C(C)(C)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 C27H25ClN2OS MW 461.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2OS/c1-27(2,3)20-11-9-19(10-12-20)17-24-25(18-32-23-15-13-21(28)14-16-23)29-30(26(24)31)22-7-5-4-6-8-22/h4-17H,18H2,1-3H3/b24-17-InChIKey
WXXHASZWJWKKCN-ULJHMMPZSA-NSynonyms
(4Z)4((4TERTBUTYLPHENYL)METHYLIDENE)5((4CHLOROPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
(4Z)4(4TERTBUTYLBENZYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC(C)(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc(cc1)C(C)(C)C)c1ccccc1
InChI=1SC27H25ClN2OSc127(23)2011919(101220)172425(183223151321(28)141623)2930(26(24)31)227546822h417H18H213H3b2417
MFCD03033201
STK001424
ZINC000008916023
ZINC08916023
ZINC8916023
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