Vitas-M small molecule compound

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

Catalog ID
STL348764
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC3(CC1)OCCO3)C)c(OC)ccc2

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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 C21H27N3O6 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6/c1-13(24-9-7-21(8-10-24)29-11-12-30-21)19(25)23-17-16-14(5-4-6-15(16)27-2)22-18(17)20(26)28-3/h4-6,13,22H,7-12H2,1-3H3,(H,23,25)
InChIKey
LXLVCOFSXIDKLU-UHFFFAOYSA-N
Synonyms
850721-42-5
850721425
CC(C(=O)NC1=C(NC2=C1C(=CC=C2)OC)C(=O)OC)N3CCC4(CC3)OCCO4
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCC3(CC1)OCCO3)C)c(OC)ccc2
InChI=1SC21H27N3O6c113(249721(81024)2911123021)19(25)23171614(54615(16)272)2218(17)20(26)283h461322H712H213H3(H2325)
methyl3((2(14dioxa8azaspiro(45)dec8yl)propanoyl)amino)4methoxy1Hindole2carboxylate
methyl3(2(14dioxa8azaspiro(45)decan8yl)propanamido)4methoxy1Hindole2carboxylate
METHYL3(2(14DIOXA8AZASPIRO(45)DECAN8YL)PROPANOYLAMINO)4METHOXY1HINDOLE2CARBOXYLATE
MFCD05692604
ZINC000002395304
ZINC000002395305

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Available files

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