Vitas-M small molecule compound

ethyl 1-benzyl-5-(2-ethoxy-2-oxoethoxy)-2-methyl-1H-benzo[g]indole-3-carboxylate

Catalog ID
STK744562
SMILES CCOC(=O)COc1cc2c(c3c1cccc3)n(c(c2C(=O)OCC)C)Cc1ccccc1

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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 C27H27NO5 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5/c1-4-31-24(29)17-33-23-15-22-25(27(30)32-5-2)18(3)28(16-19-11-7-6-8-12-19)26(22)21-14-10-9-13-20(21)23/h6-15H,4-5,16-17H2,1-3H3
InChIKey
RKSMCXKFBJAZPW-UHFFFAOYSA-N
Synonyms
380645-38-5
380645385
CCOC(=O)COC1=CC2=C(C3=CC=CC=C31)N(C(=C2C(=O)OCC)C)CC4=CC=CC=C4
ethyl1benzyl5(2ethoxy2oxoethoxy)2methyl1Hbenzo(g)indole3carboxylate
ETHYL1BENZYL5(2ETHOXY2OXOETHOXY)2METHYLBENZO(G)INDOLE3CARBOXYLATE
InChI=1SC27H27NO5c143124(29)173323152225(27(30)3252)18(3)28(1619117681219)26(22)21141091320(21)23h615H451617H213H3
MFCD02942952
ZINC000000709114
ZINC00709114
ZINC709114

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Available files

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