Vitas-M small molecule compound
ethyl 2-{[(4-ethylpiperazin-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK478227
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)CC)sc2c1CCCCC2
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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 C20H31N3O3S MW 393.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N3O3S/c1-3-22-10-12-23(13-11-22)14-17(24)21-19-18(20(25)26-4-2)15-8-6-5-7-9-16(15)27-19/h3-14H2,1-2H3,(H,21,24)InChIKey
LGKRKIHLEQGNTI-UHFFFAOYSA-NSynonyms
CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC
ethyl2(((4ethylpiperazin1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(4ethylpiperazin1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H31N3O3Sc1322101223(131122)1417(24)211918(20(25)2642)158657916(15)2719h314H212H3(H2124)
MFCD05071338
ZINC000020608815
ZINC20608815
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