Vitas-M small molecule compound
butyl 4-(5-{(1Z)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STL016780
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\C(=O)Nc1c(C)cc(cc1C)C)/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 C28H28N2O4 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4/c1-5-6-13-33-28(32)22-9-7-21(8-10-22)25-12-11-24(34-25)16-23(17-29)27(31)30-26-19(3)14-18(2)15-20(26)4/h7-12,14-16H,5-6,13H2,1-4H3,(H,30,31)/b23-16-InChIKey
RTLSAFGJGNYUMZ-KQWNVCNZSA-NSynonyms
BUTYL4(5((1Z)2CYANO2(N(246TRIMETHYLPHENYL)CARBAMOYL)VINYL)2FURYL)BENZOATE
butyl4(5((1Z)2cyano3oxo3((246trimethylphenyl)amino)prop1en1yl)furan2yl)benzoate
BUTYL4(5((Z)2CYANO3OXO3(246TRIMETHYLANILINO)PROP1ENYL)FURAN2YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=C(C=C3C)C)C
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1c(C)cc(cc1C)C)C#N
InChI=1SC28H28N2O4c156133328(32)229721(81022)25121124(3425)1623(1729)27(31)302619(3)1418(2)1520(26)4h7121416H5613H214H3(H3031)b2316
MFCD03620713
ZINC000002670670
ZINC02670670
ZINC2670670
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