Vitas-M small molecule compound
2-phenylethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407215
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)OCCc1ccccc1
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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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-17-23(26(31)34-13-12-18-8-5-4-6-9-18)24(19-10-7-11-20(14-19)29(32)33)25-21(28-17)15-27(2,3)16-22(25)30/h4-11,14,24,28H,12-13,15-16H2,1-3H3InChIKey
NGWNWBCKQJXUAB-UHFFFAOYSA-NSynonyms
303136-23-42phenylethyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
303136234
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCCC4=CC=CC=C4
InChI=1SC27H28N2O5c11723(26(31)341312188546918)24(191071120(1419)29(32)33)2521(2817)1527(23)1622(25)30h411142428H12131516H213H3
MFCD01119019
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCCc1ccccc1
ZINC000019806080
ZINC000019806082
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