Vitas-M small molecule compound
ethyl 2-[(N,N-diethyl-beta-alanyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK995671
SMILES CCOC(=O)c1c(NC(=O)CCN(CC)CC)sc2c1CCCC2
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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 C18H28N2O3S MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O3S/c1-4-20(5-2)12-11-15(21)19-17-16(18(22)23-6-3)13-9-7-8-10-14(13)24-17/h4-12H2,1-3H3,(H,19,21)InChIKey
FFFXPAXLVZTDOA-UHFFFAOYSA-NSynonyms
948227-45-0948227450
CCN(CC)CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC
ethyl2((NNdiethylbetaalanyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(diethylamino)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H28N2O3Sc1420(52)121115(21)191716(18(22)2363)139781014(13)2417h412H213H3(H1921)
MFCD00731223
ZINC000003079276
ZINC3079276
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