Vitas-M small molecule compound

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

Catalog ID
STK016374
SMILES COc1cc(ccc1OC)/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 C26H20ClN3O3S2 MW 522.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O3S2/c1-32-22-12-7-16(14-23(22)33-2)13-19-21(15-34-18-10-8-17(27)9-11-18)29-30(25(19)31)26-28-20-5-3-4-6-24(20)35-26/h3-14H,15H2,1-2H3/b19-13+
InChIKey
ZHNDOZHLAXWEQO-CPNJWEJPSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(34DIMETHOXYBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((34DIMETHOXYPHENYL)METHYLIDENE)PYRAZOL3ONE
COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl)OC
COc1cc(ccc1OC)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
InChI=1SC26H20ClN3O3S2c1322212716(1423(22)332)131921(15341810817(27)91118)2930(25(19)31)262820534624(20)3526h314H15H212H3b1913+
MFCD03032664
STK016374
ZINC000097957950
ZINC97957950

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Available files

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