Vitas-M small molecule compound
(4E)-4-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK379102
SMILES COc1ccc2c(c1)n(CC)/c(=C\1/C(=NN(C1=O)c1ccccc1)C)/s2
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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 C20H19N3O2S MW 365.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O2S/c1-4-22-16-12-15(25-3)10-11-17(16)26-20(22)18-13(2)21-23(19(18)24)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3/b20-18+InChIKey
VVEKSBSFFKIYLB-CZIZESTLSA-NSynonyms
(4E)4(3ethyl5methoxy13benzothiazol2(3H)ylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)5METHYL2PHENYLPYRAZOL3ONE
4(3ETHYL5METHOXY(3HYDROBENZOTHIAZOL2YLIDENE))3METHYL1PHENYL12DIAZOLIN5ONE
CCN1C2=C(C=CC(=C2)OC)SC1=C3C(=NN(C3=O)C4=CC=CC=C4)C
COc1ccc2c(c1)n(CC)c(=C1C(=NN(C1=O)c1ccccc1)C)s2
InChI=1SC20H19N3O2Sc1422161215(253)101117(16)2620(22)1813(2)2123(19(18)24)148657914h512H4H213H3b2018+
MFCD01825401
ZINC000030738277
ZINC30738277
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