Vitas-M small molecule compound
(2E)-3-[(3,4-dimethoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK838534
SMILES N#C/C(=C\Nc1ccc(c(c1)OC)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]
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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/c1-27-18-7-6-15(9-19(18)28-2)22-11-14(10-21)20-23-17(12-29-20)13-4-3-5-16(8-13)24(25)26/h3-9,11-12,22H,1-2H3/b14-11+InChIKey
QOFOLKZKBHHTOX-SDNWHVSQSA-NSynonyms
377052-03-4(2E)3((34dimethoxyphenyl)amino)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3((34dimethoxyphenyl)amino)2(4(3nitrophenyl)thiazol2yl)acrylonitrile
(E)3(34DIMETHOXYANILINO)2(4(3NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
377052034
COC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))OC
InChI=1SC20H16N4O4Sc127187615(919(18)282)221114(1021)202317(122920)1343516(813)24(25)26h39111222H12H3b1411+
MFCD02982935
N#CC(=CNc1ccc(c(c1)OC)OC)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000002302716
ZINC02302716
ZINC2302716
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