Vitas-M small molecule compound
2-(3,5-dimethylbenzyl)-4-[(2-iodophenyl)amino]-3-methyl-4-oxobutanoic acid
Catalog ID
STL442342
SMILES O=C(C(C(C(=O)O)Cc1cc(C)cc(c1)C)C)Nc1ccccc1I
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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 C20H22INO3 MW 451.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22INO3/c1-12-8-13(2)10-15(9-12)11-16(20(24)25)14(3)19(23)22-18-7-5-4-6-17(18)21/h4-10,14,16H,11H2,1-3H3,(H,22,23)(H,24,25)InChIKey
BNXCICQNUJIUSO-UHFFFAOYSA-NSynonyms
2((35dimethylphenyl)methyl)4(2iodoanilino)3methyl4oxobutanoicacid
2(35dimethylbenzyl)4((2iodophenyl)amino)3methyl4oxobutanoicacid
CC1=CC(=CC(=C1)CC(C(C)C(=O)NC2=CC=CC=C2I)C(=O)O)C
InChI=1SC20H22INO3c112813(2)1015(912)1116(20(24)25)14(3)19(23)2218754617(18)21h4101416H11H213H3(H2223)(H2425)
MFCD19442622
ZINC000071405951
ZINC000071405954
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