Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-iodo-6-methoxyphenyl acetate
Catalog ID
STL382736
SMILES N#C/C(=C\c1cc(I)c(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1[N+](=O)[O-])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 C19H13ClIN3O6 MW 541.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClIN3O6/c1-10(25)30-18-14(21)6-11(7-17(18)29-2)5-12(9-22)19(26)23-15-4-3-13(20)8-16(15)24(27)28/h3-8H,1-2H3,(H,23,26)/b12-5+InChIKey
XWYNZHNXBJPRQW-LFYBBSHMSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)2IODO6METHOXYPHENYL)ACETATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)2IODO6METHOXYPHENYLACETATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)2iodo6methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1I)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O))OC
InChI=1SC19H13ClIN3O6c110(25)301814(21)611(717(18)292)512(922)19(26)23154313(20)816(15)24(27)28h38H12H3(H2326)b125+
MFCD02731687
N#CC(=Cc1cc(I)c(c(c1)OC)OC(=O)C)C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000100580430
ZINC100580430
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