Vitas-M small molecule compound
ethyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438489
SMILES CCOC(=O)c1c(NC(=S)N2CCc3c(C2)cccc3)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 C22H26N2O2S2 MW 414.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O2S2/c1-2-26-21(25)19-17-10-4-3-5-11-18(17)28-20(19)23-22(27)24-13-12-15-8-6-7-9-16(15)14-24/h6-9H,2-5,10-14H2,1H3,(H,23,27)InChIKey
FSGBLROEHDDEGK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCC4=CC=CC=C4C3
ethyl2((34dihydroisoquinolin2(1H)ylcarbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(34dihydro1Hisoquinoline2carbothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC22H26N2O2S2c122621(25)1917104351118(17)2820(19)2322(27)24131215867916(15)1424h69H251014H21H3(H2327)
MFCD03945409
ZINC000005979972
ZINC05979972
ZINC5979972
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