Vitas-M small molecule compound
methyl 2-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK961278
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cccc(c1)Cl)OC)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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-27(2)12-19(30)23-21(13-27)35-25(29)24(26(31)33-4)22(23)15-8-9-20(32-3)16(10-15)14-34-18-7-5-6-17(28)11-18/h5-11,22H,12-14,29H2,1-4H3InChIKey
LAXQXLILZHJRKH-UHFFFAOYSA-NSynonyms
515858-39-6515858396
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Cl)C(=O)C1)C
InChI=1SC27H28ClNO6c127(2)1219(30)2321(1327)3525(29)24(26(31)334)22(23)158920(323)16(1015)14341875617(28)1118h51122H121429H214H3
methyl2amino4(3((3chlorophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(3((3CHLOROPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD02373548
ZINC000002770320
ZINC000002770321
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