Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Catalog ID
STK838182
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1ccc(cc1)CC(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 C23H21N3O2S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S/c1-15(2)9-16-3-5-17(6-4-16)20-13-29-23(26-20)18(11-24)12-25-19-7-8-21-22(10-19)28-14-27-21/h3-8,10,12-13,15,25H,9,14H2,1-2H3/b18-12+InChIKey
WRMKSEDBMCRBNL-LDADJPATSA-NSynonyms
378215-99-7(2E)3(13benzodioxol5ylamino)2(4(4(2methylpropyl)phenyl)13thiazol2yl)prop2enenitrile
(E)3(13BENZODIOXOL5YLAMINO)2(4(4(2METHYLPROPYL)PHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(4(4isobutylphenyl)thiazol2yl)acrylonitrile
378215997
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC23H21N3O2Sc115(2)9163517(6416)20132923(2620)18(1124)122519782122(1019)28142721h381012131525H914H212H3b1812+
MFCD02984904
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1ccc(cc1)CC(C)C
ZINC000002318120
ZINC02318120
ZINC2318120
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