Vitas-M small molecule compound
methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363133
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-10-17(20(25)26-4)18(11-5-15-16(6-12(11)22)28-9-27-15)19-13(23-10)7-21(2,3)8-14(19)24/h5-6,18,23H,7-9H2,1-4H3InChIKey
PVFXTYRYNXSUOW-UHFFFAOYSA-NSynonyms
293764-05-3293764053
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OC
InChI=1SC21H22BrNO5c11017(20(25)264)18(1151516(612(11)22)2892715)1913(2310)721(23)814(19)24h561823H79H214H3
methyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00512815
ZINC000000626345
ZINC000000626347
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