Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-ethoxyethylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868299
SMILES CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/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 C21H18ClN3O2S2 MW 443.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O2S2/c1-3-27-13(2)19-17(12-28-15-10-8-14(22)9-11-15)24-25(20(19)26)21-23-16-6-4-5-7-18(16)29-21/h4-11H,3,12H2,1-2H3/b19-13-InChIKey
OWUYDHSTYUUEKG-UYRXBGFRSA-NSynonyms
337341-88-5(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1ethoxyethylidene)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1ETHOXYETHYLIDENE)PYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)3(((4chlorophenyl)thio)methyl)4(1ethoxyethylidene)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL3((4CHLOROPHENYLTHIO)METHYL)4(ETHOXYETHYLIDENE)12DIAZOLIN5ONE
337341885
CCOC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)C
CCOC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)C
InChI=1SC21H18ClN3O2S2c132713(2)1917(12281510814(22)91115)2425(20(19)26)212316645718(16)2921h411H312H212H3b1913
MFCD01811110
ZINC000009056774
ZINC09056774
ZINC9056774
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