Vitas-M small molecule compound

(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-ethoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK017991
SMILES CCOc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl

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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 C25H21ClN2O2S MW 448.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O2S/c1-2-30-21-12-8-18(9-13-21)16-23-24(17-31-22-14-10-19(26)11-15-22)27-28(25(23)29)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3/b23-16-
InChIKey
QBEJJAKCZVFPKS-KQWNVCNZSA-N
Synonyms

(4Z)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(4ETHOXYBENZYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)4((4ETHOXYPHENYL)METHYLIDENE)2PHENYLPYRAZOL3ONE
CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl
CCOc1ccc(cc1)C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl
InChI=1SC25H21ClN2O2Sc12302112818(91321)162324(173122141019(26)111522)2728(25(23)29)206435720h316H217H21H3b2316
MFCD08049717
STK017991
ZINC000008985040
ZINC08985040
ZINC8985040

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Available files

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