Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-methylbenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK018662
SMILES Cc1ccc(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 C25H18ClN3OS2 MW 476.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3OS2/c1-16-6-8-17(9-7-16)14-20-22(15-31-19-12-10-18(26)11-13-19)28-29(24(20)30)25-27-21-4-2-3-5-23(21)32-25/h2-14H,15H2,1H3/b20-14-InChIKey
OEVITIKYWIDTLH-ZHZULCJRSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(4METHYLBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((4methylphenyl)methylidene)pyrazol3one
CC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
Cc1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
InChI=1SC25H18ClN3OS2c1166817(9716)142022(153119121018(26)111319)2829(24(20)30)252721423523(21)3225h214H15H21H3b2014
MFCD03033814
STK018662
ZINC000013940257
ZINC13940257
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