Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3-iodophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl acetate
Catalog ID
STK379329
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)C)/C(=O)Nc1cccc(c1)I
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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 C18H13IN2O3 MW 432.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13IN2O3/c1-12(22)24-17-7-5-13(6-8-17)9-14(11-20)18(23)21-16-4-2-3-15(19)10-16/h2-10H,1H3,(H,21,23)/b14-9+InChIKey
CXKZRMHFYJCCEJ-NTEUORMPSA-NSynonyms
(4((E)2CYANO3(3IODOANILINO)3OXOPROP1ENYL)PHENYL)ACETATE
4((1E)2CYANO2(N(3IODOPHENYL)CARBAMOYL)VINYL)PHENYLACETATE
4((1E)2cyano3((3iodophenyl)amino)3oxoprop1en1yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)I
InChI=1SC18H13IN2O3c112(22)24177513(6817)914(1120)18(23)211642315(19)1016h210H1H3(H2123)b149+
MFCD02067923
N#CC(=Cc1ccc(cc1)OC(=O)C)C(=O)Nc1cccc(c1)I
ZINC000016157805
ZINC16157805
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