Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(2-phenylethyl)amino]propylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK017422
SMILES CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/NCCc1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H25ClN4OS2 MW 533.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4OS2/c1-2-22(30-17-16-19-8-4-3-5-9-19)26-24(18-35-21-14-12-20(29)13-15-21)32-33(27(26)34)28-31-23-10-6-7-11-25(23)36-28/h3-15,30H,2,16-18H2,1H3/b26-22+InChIKey
IDAMUWNLIGCPOQ-XTCLZLMSSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((2PHENYLETHYL)AMINO)PROPYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(2phenylethylamino)propylidene)pyrazol3one
CCC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)NCCc1ccccc1
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NCCC5=CC=CC=C5
InChI=1SC28H25ClN4OS2c1222(301716198435919)2624(183521141220(29)131521)3233(27(26)34)28312310671125(23)3628h31530H21618H21H3b2622+
MFCD03033723
STK017422
ZINC000097957968
ZINC97957968
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