Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-ethoxypropylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK081808
SMILES CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/CC
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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 C22H20ClN3O2S2 MW 458.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O2S2/c1-3-18(28-4-2)20-17(13-29-15-11-9-14(23)10-12-15)25-26(21(20)27)22-24-16-7-5-6-8-19(16)30-22/h5-12H,3-4,13H2,1-2H3/b20-18-InChIKey
CXJQVEZXPLCJOJ-ZZEZOPTASA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1ETHOXYPROPYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1ethoxypropylidene)pyrazol3one
1BENZOTHIAZOL2YL3((4CHLOROPHENYLTHIO)METHYL)4(ETHOXYPROPYLIDENE)12DIAZOLIN5ONE
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)OCC
CCOC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)CC
InChI=1SC22H20ClN3O2S2c1318(2842)2017(13291511914(23)101215)2526(21(20)27)222416756819(16)3022h512H3413H212H3b2018
MFCD06191757
STK081808
ZINC000009678660
ZINC09678660
ZINC9678660
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