Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK556067
SMILES N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2
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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 C21H16N4O5S MW 436.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5S/c1-12-5-17(25(26)27)19(28-2)7-15(12)23-9-14(8-22)21-24-16(10-31-21)13-3-4-18-20(6-13)30-11-29-18/h3-7,9-10,23H,11H2,1-2H3/b14-9+InChIKey
VEYWGKHKFHODIK-NTEUORMPSA-NSynonyms
376618-76-7(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((5methoxy2methyl4nitrophenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(5METHOXY2METHYL4NITROANILINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((5methoxy2methyl4nitrophenyl)amino)acrylonitrile
376618767
CC1=CC(=C(C=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC)(N+)(=O)(O)
InChI=1SC21H16N4O5Sc112517(25(26)27)19(282)715(12)23914(822)212416(103121)13341820(613)30112918h3791023H11H212H3b149+
MFCD02982142
N#CC(=CNc1cc(OC)c(cc1C)(N+)(=O)(O))c1scc(n1)c1ccc2c(c1)OCO2
ZINC000009313411
ZINC09313411
ZINC9313411
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