Vitas-M small molecule compound
methyl {4-[(1E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-en-1-yl]-2,6-diiodophenoxy}acetate
Catalog ID
STK183129
SMILES N#C/C(=C\c1cc(I)c(c(c1)I)OCC(=O)OC)/C(=O)NC(C)C
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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 C16H16I2N2O4 MW 554.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16I2N2O4/c1-9(2)20-16(22)11(7-19)4-10-5-12(17)15(13(18)6-10)24-8-14(21)23-3/h4-6,9H,8H2,1-3H3,(H,20,22)/b11-4+InChIKey
IKHYFIQYOYPLGY-NYYWCZLTSA-NSynonyms
CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)I)OCC(=O)OC)I)C#N
InChI=1SC16H16I2N2O4c19(2)2016(22)11(719)410512(17)15(13(18)610)24814(21)233h469H8H213H3(H2022)b114+
METHYL(4((1E)2CYANO3OXO3(PROPAN2YLAMINO)PROP1EN1YL)26DIIODOPHENOXY)ACETATE
METHYL2(4((1E)2CYANO2(N(METHYLETHYL)CARBAMOYL)VINYL)26DIIODOPHENOXY)ACETATE
METHYL2(4((E)2CYANO3OXO3(PROPAN2YLAMINO)PROP1ENYL)26DIIODOPHENOXY)ACETATE
MFCD02379387
N#CC(=Cc1cc(I)c(c(c1)I)OCC(=O)OC)C(=O)NC(C)C
ZINC000097960741
ZINC97960741
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