Vitas-M small molecule compound
cycloheptyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016342
SMILES Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
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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 C26H32BrNO3 MW 486.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32BrNO3/c1-16-22(25(30)31-19-11-6-4-5-7-12-19)23(17-9-8-10-18(27)13-17)24-20(28-16)14-26(2,3)15-21(24)29/h8-10,13,19,23,28H,4-7,11-12,14-15H2,1-3H3InChIKey
LONRDWDYTCXZQD-UHFFFAOYSA-NSynonyms
Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC4CCCCCC4
cycloheptyl4(3bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(3bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32BrNO3c11622(25(30)31191164571219)23(17981018(27)1317)2420(2816)1426(23)1521(24)29h81013192328H4711121415H213H3
MFCD01825082
STK016342
ZINC000002757643
ZINC000002757644
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