Vitas-M small molecule compound

6-({3-[carboxy(morpholin-4-yl)methyl]-1H-indol-5-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK653340
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C1CC=CCC1C(=O)O)N1CCOCC1

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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 C22H25N3O6 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6/c26-20(14-3-1-2-4-15(14)21(27)28)24-13-5-6-18-16(11-13)17(12-23-18)19(22(29)30)25-7-9-31-10-8-25/h1-2,5-6,11-12,14-15,19,23H,3-4,7-10H2,(H,24,26)(H,27,28)(H,29,30)
InChIKey
AISBDOYXQQYBGB-UHFFFAOYSA-N
Synonyms
1214027-81-2
1214027812
6((3(carboxy(morpholin4yl)methyl)1Hindol5yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3(carboxy(morpholino)methyl)1Hindol5yl)carbamoyl)cyclohex3enecarboxylicacid
C1COCCN1C(C2=CNC3=C2C=C(C=C3)NC(=O)C4CC=CCC4C(=O)O)C(=O)O
InChI=1SC22H25N3O6c2620(14312415(14)21(27)28)2413561816(1113)17(122318)19(22(29)30)25793110825h1256111214151923H34710H2(H2426)(H2728)(H2930)
MFCD13757755
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)C1CC=CCC1C(=O)O)N1CCOCC1
ZINC000036358205
ZINC000245254572

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Available files

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