Vitas-M small molecule compound
2-phenylethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402337
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[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)34-14-13-18-7-5-4-6-8-18)24(19-9-11-20(12-10-19)29(32)33)25-21(28-17)15-27(2,3)16-22(25)30/h4-12,24,28H,13-16H2,1-3H3InChIKey
ROFZEPMPNNODQE-UHFFFAOYSA-NSynonyms
2phenylethyl277trimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl4(4nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCCC4=CC=CC=C4
InChI=1SC27H28N2O5c11723(26(31)341413187546818)24(1991120(121019)29(32)33)2521(2817)1527(23)1622(25)30h4122428H1316H213H3
MFCD01193770
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCCc1ccccc1
ZINC000001080397
ZINC000001080398
Check stock
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