Vitas-M small molecule compound
ethyl 2-[(N-benzyl-beta-alanyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK280189
SMILES CCOC(=O)c1c(NC(=O)CCNCc2ccccc2)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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-2-26-21(25)19-16-10-6-7-11-17(16)27-20(19)23-18(24)12-13-22-14-15-8-4-3-5-9-15/h3-5,8-9,22H,2,6-7,10-14H2,1H3,(H,23,24)InChIKey
PUWJYHWMLAGFGW-UHFFFAOYSA-NSynonyms
356586-91-9356586919
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCNCC3=CC=CC=C3
ethyl2((Nbenzylbetaalanyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(benzylamino)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H26N2O3Sc122621(25)191610671117(16)2720(19)2318(24)12132214158435915h358922H2671014H21H3(H2324)
MFCD01806825
ZINC000013941958
ZINC13941958
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