Vitas-M small molecule compound

ethyl 3-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propanoyl]amino}-5-methoxy-1H-indole-2-carboxylate

Catalog ID
STK549012
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC3(CC1)OCCO3)cc(cc2)OC

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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 C22H29N3O6 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6/c1-3-29-21(27)20-19(16-14-15(28-2)4-5-17(16)23-20)24-18(26)6-9-25-10-7-22(8-11-25)30-12-13-31-22/h4-5,14,23H,3,6-13H2,1-2H3,(H,24,26)
InChIKey
NJQSBEZOWSMZHZ-UHFFFAOYSA-N
Synonyms
799791-77-8
799791778
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCC3(CC1)OCCO3)cc(cc2)OC
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCC4(CC3)OCCO4
ethyl3((3(14dioxa8azaspiro(45)dec8yl)propanoyl)amino)5methoxy1Hindole2carboxylate
ethyl3(3(14dioxa8azaspiro(45)decan8yl)propanamido)5methoxy1Hindole2carboxylate
ETHYL3(3(14DIOXA8AZASPIRO(45)DECAN8YL)PROPANOYLAMINO)5METHOXY1HINDOLE2CARBOXYLATE
InChI=1SC22H29N3O6c132921(27)2019(161415(282)4517(16)2320)2418(26)692510722(81125)3012133122h451423H3613H212H3(H2426)
MFCD03676408
ZINC000002215988
ZINC2215988

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Available files

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