Vitas-M small molecule compound
ethyl 2-[(benzylcarbamothioyl)amino]-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Catalog ID
STK840653
SMILES CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC(OC2)C(C)C
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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 C21H26N2O3S2 MW 418.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-15-10-16(13(2)3)26-12-17(15)28-19(18)23-21(27)22-11-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H2,22,23,27)InChIKey
JVQGRIZIAZTRPP-UHFFFAOYSA-NSynonyms
371212-94-1371212941
CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC3=CC=CC=C3
ETHYL(5S)2((BENZYLCARBAMOTHIOYL)AMINO)5(PROPAN2YL)47DIHYDRO5HTHIENO(23C)PYRAN3CARBOXYLATE
ethyl2((benzylcarbamothioyl)amino)5(propan2yl)47dihydro5Hthieno(23c)pyran3carboxylate
ethyl2(3benzylthioureido)5isopropyl57dihydro4Hthieno(23c)pyran3carboxylate
ETHYL2(BENZYLCARBAMOTHIOYLAMINO)5PROPAN2YL57DIHYDRO4HTHIENO(23C)PYRAN3CARBOXYLATE
InChI=1SC21H26N2O3S2c142520(24)18151016(13(2)3)261217(15)2819(18)2321(27)2211148657914h591316H41012H213H3(H2222327)
MFCD03010020
ZINC000001123515
ZINC000001123516
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