Vitas-M small molecule compound
ethyl 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL176455
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(COc3ccccc3Br)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 C29H32BrNO5 MW 554.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5/c1-6-34-28(33)26-24(25-21(32)13-29(4,5)14-23(25)36-27(26)31)19-12-18(16(2)11-17(19)3)15-35-22-10-8-7-9-20(22)30/h7-12,24H,6,13-15,31H2,1-5H3InChIKey
IMEWGLHXGYYWOQ-UHFFFAOYSA-NSynonyms
677730-41-5677730415
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=CC=C4Br)C(=O)CC(C2)(C)C)N
ethyl2amino4(5((2bromophenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(5((2BROMOPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC29H32BrNO5c163428(33)2624(2521(32)1329(45)1423(25)3627(26)31)191218(16(2)1117(19)3)1535221087920(22)30h71224H6131531H215H3
MFCD03883549
ZINC000002747685
ZINC000002747686
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