Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STK567896
SMILES N#C/C(=C\c1cc(ccc1OC)[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 C20H13N3O5S MW 407.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O5S/c1-26-17-5-3-15(23(24)25)7-13(17)6-14(9-21)20-22-16(10-29-20)12-2-4-18-19(8-12)28-11-27-18/h2-8,10H,11H2,1H3/b14-6+InChIKey
ZMEOMRZOGGLCMO-MKMNVTDBSA-NSynonyms
683256-12-4(2E)2(4(13benzodioxol5yl)13thiazol2yl)3(2methoxy5nitrophenyl)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(2METHOXY5NITROPHENYL)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(2methoxy5nitrophenyl)acrylonitrile
683256124
COC1=C(C=C(C=C1)(N+)(=O)(O))C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
InChI=1SC20H13N3O5Sc126175315(23(24)25)713(17)614(921)202216(102920)12241819(812)28112718h2810H11H21H3b146+
MFCD03671475
N#CC(=Cc1cc(ccc1OC)(N+)(=O)(O))c1scc(n1)c1ccc2c(c1)OCO2
ZINC000004263937
ZINC04263937
ZINC4263937
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