Vitas-M small molecule compound
(2E)-2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-ethoxyphenyl}-N-[3-(methylsulfanyl)phenyl]prop-2-enamide
Catalog ID
STK077230
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C(/C(=O)Nc1cccc(c1)SC)\C#N
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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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-3-32-26-14-19(11-12-25(26)33-18-21-8-5-4-7-20(21)16-28)13-22(17-29)27(31)30-23-9-6-10-24(15-23)34-2/h4-15H,3,18H2,1-2H3,(H,30,31)/b22-13+InChIKey
AQZSSAHOCQISCP-LPYMAVHISA-NSynonyms
(2E)2CYANO3(4((2CYANOBENZYL)OXY)3ETHOXYPHENYL)N(3(METHYLSULFANYL)PHENYL)PROP2ENAMIDE
(E)2CYANO3(4((2CYANOPHENYL)METHOXY)3ETHOXYPHENYL)N(3METHYLSULFANYLPHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)SC)OCC3=CC=CC=C3C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C(C(=O)Nc1cccc(c1)SC)C#N
InChI=1SC27H23N3O3Sc1332261419(111225(26)331821854720(21)1628)1322(1729)27(31)3023961024(1523)342h415H318H212H3(H3031)b2213+
MFCD03556053
STK077230
ZINC000009305444
ZINC09305444
ZINC9305444
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