Vitas-M small molecule compound
methyl (3-{(1E)-2-cyano-3-[(3,4-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Catalog ID
STK186034
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)OC)/C(=O)Nc1ccc(c(c1)Cl)Cl
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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 C21H15Cl2N3O3 MW 428.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N3O3/c1-29-20(27)12-26-11-14(16-4-2-3-5-19(16)26)8-13(10-24)21(28)25-15-6-7-17(22)18(23)9-15/h2-9,11H,12H2,1H3,(H,25,28)/b13-8+InChIKey
UITXFVBZZVSNOR-MDWZMJQESA-NSynonyms
(E)methyl2(3(2cyano3((34dichlorophenyl)amino)3oxoprop1en1yl)1Hindol1yl)acetate
COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H15Cl2N3O3c12920(27)12261114(16423519(16)26)813(1024)21(28)25156717(22)18(23)915h2911H12H21H3(H2528)b138+
METHYL(3((1E)2CYANO3((34DICHLOROPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3(34DICHLOROANILINO)3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD02194513
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)Nc1ccc(c(c1)Cl)Cl
ZINC000000786658
ZINC00786658
ZINC786658
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