Vitas-M small molecule compound

(2E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]prop-2-enamide

Catalog ID
STK185236
SMILES C=CCOc1c(I)cc(cc1OC)/C=C(/C(=O)Nc1ccc(c(c1)Cl)C)\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 C21H18ClIN2O3 MW 508.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClIN2O3/c1-4-7-28-20-18(23)9-14(10-19(20)27-3)8-15(12-24)21(26)25-16-6-5-13(2)17(22)11-16/h4-6,8-11H,1,7H2,2-3H3,(H,25,26)/b15-8+
InChIKey
UKVXODKGWZTOQW-OVCLIPMQSA-N
Synonyms

(2E)N(3CHLORO4METHYLPHENYL)2CYANO3(3IODO5METHOXY4(PROP2EN1YLOXY)PHENYL)PROP2ENAMIDE
(E)N(3chloro4methylphenyl)2cyano3(3iodo5methoxy4prop2enoxyphenyl)prop2enamide
C=CCOc1c(I)cc(cc1OC)C=C(C(=O)Nc1ccc(c(c1)Cl)C)C#N
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC=C)OC)C#N)Cl
InChI=1SC21H18ClIN2O3c147282018(23)914(1019(20)273)815(1224)21(26)25166513(2)17(22)1116h46811H17H223H3(H2526)b158+
MFCD03729366
ZINC000009322185
ZINC09322185
ZINC9322185

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Available files

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