Vitas-M small molecule compound
ethyl [4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-yl]imidoformate
Catalog ID
STK753685
SMILES CCO/C=N/C1=C(C#N)C(C2=C(O1)CC(C)(C)CC2=O)c1ccc(cc1)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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-4-26-12-24-20-15(11-23)18(13-5-7-14(22)8-6-13)19-16(25)9-21(2,3)10-17(19)27-20/h5-8,12,18H,4,9-10H2,1-3H3/b24-12+InChIKey
RJQMAEBGKFTHQM-WYMPLXKRSA-NSynonyms
242481-12-5(E)ethylN(4(4chlorophenyl)3cyano77dimethyl5oxo5678tetrahydro4Hchromen2yl)formimidate
242481125
CCOC=NC1=C(C#N)C(C2=C(O1)CC(C)(C)CC2=O)c1ccc(cc1)Cl
CCOC=NC1=C(C(C2=C(O1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C#N
ETHYL(1E)N(4(4CHLOROPHENYL)3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN2YL)METHANIMIDATE
ethyl(4(4chlorophenyl)3cyano77dimethyl5oxo5678tetrahydro4Hchromen2yl)imidoformate
InChI=1SC21H21ClN2O3c142612242015(1123)18(135714(22)8613)1916(25)921(23)1017(19)2720h581218H4910H213H3b2412+
MFCD00824329
ZINC000002311804
ZINC000002311806
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