Vitas-M small molecule compound
methyl 2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK317677
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1ccc(cc1Cl)Br)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 C27H27BrClNO6 MW 576.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrClNO6/c1-27(2)11-18(31)23-21(12-27)36-25(30)24(26(32)34-4)22(23)14-5-7-19(33-3)15(9-14)13-35-20-8-6-16(28)10-17(20)29/h5-10,22H,11-13,30H2,1-4H3InChIKey
QISIUGIBVMXUSU-UHFFFAOYSA-NSynonyms
445237-25-2445237252
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Br)Cl)C(=O)C1)C
InChI=1SC27H27BrClNO6c127(2)1118(31)2321(1227)3625(30)24(26(32)344)22(23)145719(333)15(914)1335208616(28)1017(20)29h51022H111330H214H3
methyl2amino4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(3((4BROMO2CHLOROPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD02608604
ZINC000002108567
ZINC000002108569
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