Vitas-M small molecule compound

cyclohexylmethyl 3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Catalog ID
STK774804
SMILES COc1cc(cc(c1OC)OC)C1CC(=O)c2c(C1)[nH]c(c2C)C(=O)OCC1CCCCC1

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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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-15-23-19(27-24(15)26(29)33-14-16-8-6-5-7-9-16)10-17(11-20(23)28)18-12-21(30-2)25(32-4)22(13-18)31-3/h12-13,16-17,27H,5-11,14H2,1-4H3
InChIKey
BNLVSSXXHYZJNA-UHFFFAOYSA-N
Synonyms

CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4CCCCC4
COc1cc(cc(c1OC)OC)C1CC(=O)c2c(C1)(nH)c(c2C)C(=O)OCC1CCCCC1
cyclohexylmethyl3methyl4oxo6(345trimethoxyphenyl)1567tetrahydroindole2carboxylate
cyclohexylmethyl3methyl4oxo6(345trimethoxyphenyl)4567tetrahydro1Hindole2carboxylate
InChI=1SC26H33NO6c1152319(2724(15)26(29)3314168657916)1017(1120(23)28)181221(302)25(324)22(1318)313h1213161727H51114H214H3
MFCD04061334
ZINC000001420966
ZINC000001420967

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Available files

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