Vitas-M small molecule compound
methyl 4-{[(1Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]amino}benzoate
Catalog ID
STK715982
SMILES COC(=O)c1ccc(cc1)N/C=C(\C(=O)NC1CCCCC1)/C#N
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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 C18H21N3O3 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3/c1-24-18(23)13-7-9-15(10-8-13)20-12-14(11-19)17(22)21-16-5-3-2-4-6-16/h7-10,12,16,20H,2-6H2,1H3,(H,21,22)/b14-12-InChIKey
LMYKDRNZFFUIAW-OWBHPGMISA-NSynonyms
(E)methyl4((2cyano3(cyclohexylamino)3oxoprop1en1yl)amino)benzoate
COC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)NC2CCCCC2
COC(=O)c1ccc(cc1)NC=C(C(=O)NC1CCCCC1)C#N
InChI=1SC18H21N3O3c12418(23)137915(10813)201214(1119)17(22)21165324616h710121620H26H21H3(H2122)b1412
methyl4(((1Z)2cyano3(cyclohexylamino)3oxoprop1en1yl)amino)benzoate
methyl4(((Z)2cyano3(cyclohexylamino)3oxoprop1enyl)amino)benzoate
MFCD08166874
ZINC000102673277
ZINC102673277
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