Vitas-M small molecule compound
(2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK529081
SMILES N#C/C(=C\Nc1cccc(c1)[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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-27-18-7-6-13(8-19(18)28-2)17-12-29-20(23-17)14(10-21)11-22-15-4-3-5-16(9-15)24(25)26/h3-9,11-12,22H,1-2H3/b14-11+InChIKey
BTWQDIQDKVFJSA-SDNWHVSQSA-NSynonyms
373376-15-9(2E)2(4(34dimethoxyphenyl)13thiazol2yl)3((3nitrophenyl)amino)prop2enenitrile
(E)2(4(34DIMETHOXYPHENYL)13THIAZOL2YL)3(3NITROANILINO)PROP2ENENITRILE
(E)2(4(34dimethoxyphenyl)thiazol2yl)3((3nitrophenyl)amino)acrylonitrile
373376159
COC1=C(C=C(C=C1)C2=CSC(=N2)C(=CNC3=CC(=CC=C3)(N+)(=O)(O))C#N)OC
InChI=1SC20H16N4O4Sc127187613(819(18)282)17122920(2317)14(1021)11221543516(915)24(25)26h39111222H12H3b1411+
MFCD01947269
N#CC(=CNc1cccc(c1)(N+)(=O)(O))c1scc(n1)c1ccc(c(c1)OC)OC
ZINC000001794280
ZINC01794280
ZINC1794280
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