Vitas-M small molecule compound

(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-methoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK064258
SMILES COc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)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 C25H18ClN3O2S2 MW 492.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O2S2/c1-31-18-10-6-16(7-11-18)14-20-22(15-32-19-12-8-17(26)9-13-19)28-29(24(20)30)25-27-21-4-2-3-5-23(21)33-25/h2-14H,15H2,1H3/b20-14-
InChIKey
ZEYXCCSWBFPEMV-ZHZULCJRSA-N
Synonyms

(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(4METHOXYBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((4methoxyphenyl)methylidene)pyrazol3one
COC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
COc1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
InChI=1SC25H18ClN3O2S2c1311810616(71118)142022(15321912817(26)91319)2829(24(20)30)252721423523(21)3325h214H15H21H3b2014
MFCD08051678
STK064258
ZINC000013897436
ZINC13897436

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Available files

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