Vitas-M small molecule compound

ethyl 1-butyl-2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1H-benzo[g]indole-3-carboxylate

Catalog ID
STK869663
SMILES CCCCn1c(C)c(c2c1c1ccccc1c(c2)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)OCC

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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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-4-6-14-28-17(3)24(27(31)34-5-2)22-16-23(20-12-7-8-13-21(20)25(22)28)35-26(30)18-10-9-11-19(15-18)29(32)33/h7-13,15-16H,4-6,14H2,1-3H3
InChIKey
ODEKLVKSYQNNLP-UHFFFAOYSA-N
Synonyms
312584-47-7
312584477
CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC)C
CCCCn1c(C)c(c2c1c1ccccc1c(c2)OC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)OCC
ethyl1butyl2methyl5(((3nitrophenyl)carbonyl)oxy)1Hbenzo(g)indole3carboxylate
ethyl1butyl2methyl5((3nitrobenzoyl)oxy)1Hbenzo(g)indole3carboxylate
ETHYL1BUTYL2METHYL5(3NITROBENZOYL)OXYBENZO(G)INDOLE3CARBOXYLATE
InChI=1SC27H26N2O6c146142817(3)24(27(31)3452)221623(2012781321(20)25(22)28)3526(30)181091119(1518)29(32)33h7131516H4614H213H3
MFCD01944926
ZINC000002278173
ZINC02278173
ZINC2278173

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.