Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(4-ethoxybenzylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK045137
SMILES CCOc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
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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 C27H23N3O2S2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O2S2/c1-3-32-20-12-10-19(11-13-20)16-22-24(17-33-21-14-8-18(2)9-15-21)29-30(26(22)31)27-28-23-6-4-5-7-25(23)34-27/h4-16H,3,17H2,1-2H3/b22-16-InChIKey
XITWCYQPYPCIMC-JWGURIENSA-NSynonyms
(4Z)2(13benzothiazol2yl)4((4ethoxyphenyl)methylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(4ETHOXYBENZYLIDENE)5(((4METHYLPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)C
CCOc1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC27H23N3O2S2c133220121019(111320)162224(17332114818(2)91521)2930(26(22)31)272823645725(23)3427h416H317H212H3b2216
MFCD03032603
STK045137
ZINC000009425726
ZINC09425726
ZINC9425726
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