Vitas-M small molecule compound

ethyl 2-[(benzylcarbamothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK020630
SMILES CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2

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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 C18H20N2O2S2 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-9-6-10-14(13)24-16(15)20-18(23)19-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,19,20,23)
InChIKey
QOFRCCGUSKYKAC-UHFFFAOYSA-N
Synonyms
331964-57-9
2(3BENZYLTHIOUREIDO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLICACID
331964579
CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CC=C3
CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCC2
ETHYL2(((BENZYLAMINO)CARBOTHIOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ETHYL2((BENZYLCARBAMOTHIOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ethyl2(3benzylthioureido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(BENZYLCARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC18H20N2O2S2c122217(21)1513961014(13)2416(15)2018(23)1911127435812h3578H26911H21H3(H2192023)
MFCD01455857
STK020630
ZINC000004438559
ZINC04438559
ZINC4438559

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Available files

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