Vitas-M small molecule compound
methyl (3-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Catalog ID
STK182334
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)OC)/C(=O)Nc1ccc(cc1)F
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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 C21H16FN3O3 MW 377.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O3/c1-28-20(26)13-25-12-15(18-4-2-3-5-19(18)25)10-14(11-23)21(27)24-17-8-6-16(22)7-9-17/h2-10,12H,13H2,1H3,(H,24,27)/b14-10+InChIKey
PTDDNPSQUQIRHY-GXDHUFHOSA-NSynonyms
(E)methyl2(3(2cyano3((4fluorophenyl)amino)3oxoprop1en1yl)1Hindol1yl)acetate
COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC=C(C=C3)F
InChI=1SC21H16FN3O3c12820(26)13251215(18423519(18)25)1014(1123)21(27)24178616(22)7917h21012H13H21H3(H2427)b1410+
METHYL(3((1E)2CYANO3((4FLUOROPHENYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3(4FLUOROANILINO)3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD02904889
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)Nc1ccc(cc1)F
ZINC000000821220
ZINC00821220
ZINC821220
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