Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-{[(2-phenylethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK073690
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCCc1ccccc1)c1nc2c(s1)cccc2
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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 C27H24N4OS2 MW 484.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4OS2/c1-19-11-13-21(14-12-19)33-18-24-22(17-28-16-15-20-7-3-2-4-8-20)26(32)31(30-24)27-29-23-9-5-6-10-25(23)34-27/h2-14,17,28H,15-16,18H2,1H3/b22-17+InChIKey
FYFVHEGTTKIXOQ-OQKWZONESA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(((4METHYLPHENYL)SULFANYL)METHYL)4(((2PHENYLETHYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)5((4methylphenyl)sulfanylmethyl)4((2phenylethylamino)methylidene)pyrazol3one
(4E)2(13BENZOTHIAZOL2YL)5((4METHYLPHENYL)SULFANYLMETHYL)4((PHENETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=CNCCc1ccccc1)c1nc2c(s1)cccc2
InChI=1SC27H24N4OS2c119111321(141219)33182422(17281615207324820)26(32)31(3024)2729239561025(23)3427h2141728H151618H21H3b2217+
MFCD03033129
STK073690
ZINC000101473598
ZINC101473598
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