Vitas-M small molecule compound
4-{(1Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-iodo-6-methoxyphenyl acetate
Catalog ID
STK379310
SMILES N#C/C(=C/c1cc(I)c(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1)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 C20H17IN2O4 MW 476.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O4/c1-12-4-6-16(7-5-12)23-20(25)15(11-22)8-14-9-17(21)19(27-13(2)24)18(10-14)26-3/h4-10H,1-3H3,(H,23,25)/b15-8-InChIKey
IRPWWDUFSPXZQZ-NVNXTCNLSA-NSynonyms
(4((Z)2cyano3(4methylanilino)3oxoprop1enyl)2iodo6methoxyphenyl)acetate
4((1Z)2CYANO2(N(4METHYLPHENYL)CARBAMOYL)VINYL)2IODO6METHOXYPHENYLACETATE
4((1Z)2cyano3((4methylphenyl)amino)3oxoprop1en1yl)2iodo6methoxyphenylacetate
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OC(=O)C)OC)C#N
InChI=1SC20H17IN2O4c1124616(7512)2320(25)15(1122)814917(21)19(2713(2)24)18(1014)263h410H13H3(H2325)b158
MFCD02067914
N#CC(=Cc1cc(I)c(c(c1)OC)OC(=O)C)C(=O)Nc1ccc(cc1)C
ZINC000008860877
ZINC08860877
ZINC8860877
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