Vitas-M small molecule compound
methyl 2-amino-4-(5-bromo-2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK699406
SMILES COC(=O)C1=C(N)OC2=C(C1c1cc(Br)ccc1OC)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 C20H22BrNO5 MW 436.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO5/c1-20(2)8-12(23)16-14(9-20)27-18(22)17(19(24)26-4)15(16)11-7-10(21)5-6-13(11)25-3/h5-7,15H,8-9,22H2,1-4H3InChIKey
IKEWAUXBYZCGRA-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=C(C=CC(=C3)Br)OC)C(=O)C1)C
InChI=1SC20H22BrNO5c120(2)812(23)1614(920)2718(22)17(19(24)264)15(16)11710(21)5613(11)253h5715H8922H214H3
methyl2amino4(5bromo2methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(5BROMO2METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD04060804
ZINC000001445806
ZINC000001445807
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