Vitas-M small molecule compound

methyl 2-({(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5-dimethoxybenzoate

Catalog ID
STK535647
SMILES N#C/C(=C\Nc1cc(OC)c(cc1C(=O)OC)OC)/c1scc(n1)c1ccc(cc1)[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 C22H18N4O6S MW 466.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O6S/c1-30-19-8-16(22(27)32-3)17(9-20(19)31-2)24-11-14(10-23)21-25-18(12-33-21)13-4-6-15(7-5-13)26(28)29/h4-9,11-12,24H,1-3H3/b14-11+
InChIKey
XYBIUEYDJFCKLY-SDNWHVSQSA-N
Synonyms

(E)methyl2((2cyano2(4(4nitrophenyl)thiazol2yl)vinyl)amino)45dimethoxybenzoate
COC1=C(C=C(C(=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)(N+)(=O)(O))OC
InChI=1SC22H18N4O6Sc13019816(22(27)323)17(920(19)312)241114(1023)212518(123321)134615(7513)26(28)29h49111224H13H3b1411+
methyl2(((E)2cyano2(4(4nitrophenyl)13thiazol2yl)ethenyl)amino)45dimethoxybenzoate
MFCD02983960
N#CC(=CNc1cc(OC)c(cc1C(=O)OC)OC)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009057851
ZINC09057851
ZINC9057851

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Available files

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