Vitas-M small molecule compound

cycloheptyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403133
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)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 C26H32N2O5 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5/c1-16-22(25(30)33-19-11-6-4-5-7-12-19)23(17-9-8-10-18(13-17)28(31)32)24-20(27-16)14-26(2,3)15-21(24)29/h8-10,13,19,23,27H,4-7,11-12,14-15H2,1-3H3
InChIKey
FPLJXPQMQPIJDQ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC4CCCCCC4
cycloheptyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cycloheptyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32N2O5c11622(25(30)33191164571219)23(17981018(1317)28(31)32)2420(2716)1426(23)1521(24)29h81013192327H4711121415H213H3
MFCD03146830
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OC1CCCCCC1
ZINC000002731845
ZINC000002731846

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Available files

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