Vitas-M small molecule compound
methyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK020214
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)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 C20H22BrNO3 MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO3/c1-11-16(19(24)25-4)17(12-7-5-6-8-13(12)21)18-14(22-11)9-20(2,3)10-15(18)23/h5-8,17,22H,9-10H2,1-4H3InChIKey
CBCXVEXTXYUCBS-UHFFFAOYSA-NSynonyms
312585-92-5312585925
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Br)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)(C)C
InChI=1SC20H22BrNO3c11116(19(24)254)17(12756813(12)21)1814(2211)920(23)1015(18)23h581722H910H214H3
methyl4(2bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD01823526
STK020214
ZINC000019772387
ZINC000019772389
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