Vitas-M small molecule compound
(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STL025940
SMILES N#C/C(=C\c1cc(ccc1OC)[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)OC)OC
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-27-18-7-5-16(24(25)26)9-14(18)8-15(11-22)21-23-17(12-30-21)13-4-6-19(28-2)20(10-13)29-3/h4-10,12H,1-3H3/b15-8+InChIKey
DDTFFNWPEQFJCE-OVCLIPMQSA-NSynonyms
683256-06-6(2E)2(4(34dimethoxyphenyl)13thiazol2yl)3(2methoxy5nitrophenyl)prop2enenitrile
(E)2(4(34DIMETHOXYPHENYL)13THIAZOL2YL)3(2METHOXY5NITROPHENYL)PROP2ENENITRILE
(E)2(4(34dimethoxyphenyl)thiazol2yl)3(2methoxy5nitrophenyl)acrylonitrile
683256066
COC1=C(C=C(C=C1)(N+)(=O)(O))C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
InChI=1SC21H17N3O5Sc127187516(24(25)26)914(18)815(1122)212317(123021)134619(282)20(1013)293h41012H13H3b158+
MFCD03672887
N#CC(=Cc1cc(ccc1OC)(N+)(=O)(O))c1scc(n1)c1ccc(c(c1)OC)OC
ZINC000009075748
ZINC09075748
ZINC9075748
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