Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK206735
SMILES COc1ccc(cc1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-14(23-13-12-16-8-10-17(28-3)11-9-16)20-15(2)25-26(21(20)27)22-24-18-6-4-5-7-19(18)29-22/h4-11,23H,12-13H2,1-3H3/b20-14+InChIKey
IKALBYYEIUVONQ-XSFVSMFZSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((2(4methoxyphenyl)ethyl)amino)ethylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(2(4METHOXYPHENYL)ETHYLAMINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((4methoxyphenethyl)amino)ethylidene)3methyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((2(4METHOXYPHENYL)ETHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3
COc1ccc(cc1)CCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC22H22N4O2Sc114(2313121681017(283)11916)2015(2)2526(21(20)27)222418645719(18)2922h41123H1213H213H3b2014+
MFCD03778754
ZINC000004741219
ZINC04741219
ZINC4741219
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