Vitas-M small molecule compound

cyclohexyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK041431
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C)OC1CCCCC1

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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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-14-22(25(30)35-15-7-5-4-6-8-15)23(24-17(27-14)11-26(2,3)12-19(24)29)16-9-20-21(34-13-33-20)10-18(16)28(31)32/h9-10,15,23,27H,4-8,11-13H2,1-3H3
InChIKey
UACQMODEFJGMID-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC5CCCCC5
cyclohexyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H30N2O7c11422(25(30)35157546815)23(2417(2714)1126(23)1219(24)29)1692021(34133320)1018(16)28(31)32h910152327H481113H213H3
MFCD00770996
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C)OC1CCCCC1
STK041431
ZINC000001082688
ZINC000001082689

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Available files

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