Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(2-methylphenyl)amino]propylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK075992
SMILES CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/Nc1ccccc1C
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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 C27H23ClN4OS2 MW 519.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4OS2/c1-3-20(29-21-9-5-4-8-17(21)2)25-23(16-34-19-14-12-18(28)13-15-19)31-32(26(25)33)27-30-22-10-6-7-11-24(22)35-27/h4-15,29H,3,16H2,1-2H3/b25-20+InChIKey
XMPXGJUMMFPQCH-LKUDQCMESA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((2METHYLPHENYL)AMINO)PROPYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1(2METHYLANILINO)PROPYLIDENE)PYRAZOL3ONE
CCC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)Nc1ccccc1C
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=CC=CC=C5C
InChI=1SC27H23ClN4OS2c1320(2921954817(21)2)2523(163419141218(28)131519)3132(26(25)33)27302210671124(22)3527h41529H316H212H3b2520+
MFCD02052850
STK075992
ZINC000009635916
ZINC09635916
ZINC9635916
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