Vitas-M small molecule compound

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

Catalog ID
STK050602
SMILES CCOc1ccc(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 C26H20ClN3O2S2 MW 506.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O2S2/c1-2-32-19-11-7-17(8-12-19)15-21-23(16-33-20-13-9-18(27)10-14-20)29-30(25(21)31)26-28-22-5-3-4-6-24(22)34-26/h3-15H,2,16H2,1H3/b21-15-
InChIKey
GBKSHCCOZCQLSO-QNGOZBTKSA-N
Synonyms

(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(4ETHOXYBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((4ethoxyphenyl)methylidene)pyrazol3one
CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
CCOc1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
InChI=1SC26H20ClN3O2S2c12321911717(81219)152123(16332013918(27)101420)2930(25(21)31)262822534624(22)3426h315H216H21H3b2115
MFCD08051083
STK050602
ZINC000009434669
ZINC09434669
ZINC9434669

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Available files

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