Vitas-M small molecule compound

ethyl 1-butyl-5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1H-benzo[g]indole-3-carboxylate

Catalog ID
STK869871
SMILES CCCCn1c(C)c(c2c1c1ccccc1c(c2)OC(=O)C(C)(C)C)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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-7-9-14-26-16(3)21(23(27)29-8-2)19-15-20(30-24(28)25(4,5)6)17-12-10-11-13-18(17)22(19)26/h10-13,15H,7-9,14H2,1-6H3
InChIKey
JFBYKTATQVGZHD-UHFFFAOYSA-N
Synonyms
372976-91-5
372976915
CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)C(C)(C)C)C(=O)OCC)C
ethyl1butyl2methyl5(pivaloyloxy)1Hbenzo(g)indole3carboxylate
ethyl1butyl5((22dimethylpropanoyl)oxy)2methyl1Hbenzo(g)indole3carboxylate
ETHYL1BUTYL5(22DIMETHYLPROPANOYLOXY)2METHYLBENZO(G)INDOLE3CARBOXYLATE
InChI=1SC25H31NO4c179142616(3)21(23(27)2982)191520(3024(28)25(45)6)171210111318(17)22(19)26h101315H7914H216H3
MFCD01955545
ZINC000001856451
ZINC01856451
ZINC1856451

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Available files

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