Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482866
SMILES CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)/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 C22H21N3O2S2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O2S2/c1-4-27-15(3)20-18(13-28-16-11-9-14(2)10-12-16)24-25(21(20)26)22-23-17-7-5-6-8-19(17)29-22/h5-12H,4,13H2,1-3H3/b20-15-InChIKey
DGFQRUIRRJKNDJ-HKWRFOASSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1ethoxyethylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1ethoxyethylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
CCOC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C)C
CCOC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C)C
InChI=1SC22H21N3O2S2c142715(3)2018(13281611914(2)101216)2425(21(20)26)222317756819(17)2922h512H413H213H3b2015
MFCD06191756
ZINC000016949261
ZINC16949261
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