Vitas-M small molecule compound
ethyl 2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL175782
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(COc3ccc(cc3C)Cl)c(cc1C)C)C(=O)CC(C2)(C)C
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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 C30H34ClNO5 MW 524.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO5/c1-7-35-29(34)27-25(26-22(33)13-30(5,6)14-24(26)37-28(27)32)21-12-19(16(2)10-17(21)3)15-36-23-9-8-20(31)11-18(23)4/h8-12,25H,7,13-15,32H2,1-6H3InChIKey
SCHHHWXEIBNVEV-UHFFFAOYSA-NSynonyms
438225-01-5438225015
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)COC4=C(C=C(C=C4)Cl)C)C(=O)CC(C2)(C)C)N
ethyl2amino4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(5((4CHLORO2METHYLPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC30H34ClNO5c173529(34)2725(2622(33)1330(56)1424(26)3728(27)32)211219(16(2)1017(21)3)1536239820(31)1118(23)4h81225H7131532H216H3
MFCD03074887
ZINC000002112128
ZINC000002112132
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