Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-methoxyphenyl)amino]propylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK071137
SMILES CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/Nc1cc(Cl)ccc1OC
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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 C27H22Cl2N4O2S2 MW 569.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N4O2S2/c1-3-19(30-21-14-17(29)10-13-23(21)35-2)25-22(15-36-18-11-8-16(28)9-12-18)32-33(26(25)34)27-31-20-6-4-5-7-24(20)37-27/h4-14,30H,3,15H2,1-2H3/b25-19+InChIKey
ZBRKCJJGPYOMBF-NCELDCMTSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((5CHLORO2METHOXYPHENYL)AMINO)PROPYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(5chloro2methoxyanilino)propylidene)5((4chlorophenyl)sulfanylmethyl)pyrazol3one
CCC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)Nc1cc(Cl)ccc1OC
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=C(C=CC(=C5)Cl)OC
InChI=1SC27H22Cl2N4O2S2c1319(30211417(29)101323(21)352)2522(15361811816(28)91218)3233(26(25)34)273120645724(20)3727h41430H315H212H3b2519+
MFCD03033934
STK071137
ZINC000097958939
ZINC97958939
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