Vitas-M small molecule compound

ethyl 2-[(N,N-dipropylglycyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STL171328
SMILES CCCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)CCC

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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 C20H32N2O3S MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O3S/c1-4-12-22(13-5-2)14-17(23)21-19-18(20(24)25-6-3)15-10-8-7-9-11-16(15)26-19/h4-14H2,1-3H3,(H,21,23)
InChIKey
KFTGZRVNIVFWFS-UHFFFAOYSA-N
Synonyms
5670-93-9
5670939
CCCN(CCC)CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC
ethyl2((2(dipropylamino)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((NNdipropylglycyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H32N2O3Sc141222(1352)1417(23)211918(20(24)2563)15108791116(15)2619h414H213H3(H2123)
MFCD01177077
ZINC000005018007
ZINC5018007

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Available files

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