Vitas-M small molecule compound

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

Catalog ID
STK402901
SMILES COc1cc(cc(c1O)[N+](=O)[O-])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 C27H34N2O7 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O7/c1-15-22(26(32)36-17-9-7-5-6-8-10-17)23(24-18(28-15)13-27(2,3)14-20(24)30)16-11-19(29(33)34)25(31)21(12-16)35-4/h11-12,17,23,28,31H,5-10,13-14H2,1-4H3
InChIKey
FSPHQHSUOAYZBL-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)OC4CCCCCC4
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
cycloheptyl4(4hydroxy3methoxy5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(4hydroxy3methoxy5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H34N2O7c11522(26(32)3617975681017)23(2418(2815)1327(23)1420(24)30)161119(29(33)34)25(31)21(1216)354h111217232831H5101314H214H3
MFCD03145136
ZINC000100132228
ZINC000100132232

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Available files

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