Vitas-M small molecule compound
ethyl 2-[(benzylcarbamothioyl)amino]-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Catalog ID
STK829838
SMILES CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC(C)(CC)OC2
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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/c1-4-21(3)11-15-16(13-26-21)28-18(17(15)19(24)25-5-2)23-20(27)22-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H2,22,23,27)InChIKey
XQDFRNSGBXBAJU-UHFFFAOYSA-NSynonyms
356587-54-7356587547
CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC3=CC=CC=C3)C
ETHYL(5S)2((BENZYLCARBAMOTHIOYL)AMINO)5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN3CARBOXYLATE
ETHYL2(((BENZYLAMINO)CARBOTHIOYL)AMINO)5ETHYL5METHYL47DIHYDRO5HTHIENO(23C)PYRAN3CARBOXYLATE
ethyl2((benzylcarbamothioyl)amino)5ethyl5methyl47dihydro5Hthieno(23c)pyran3carboxylate
ethyl2(3benzylthioureido)5ethyl5methyl57dihydro4Hthieno(23c)pyran3carboxylate
ETHYL2(BENZYLCARBAMOTHIOYLAMINO)5ETHYL5METHYL47DIHYDROTHIENO(23C)PYRAN3CARBOXYLATE
InChI=1SC21H26N2O3S2c1421(3)111516(132621)2818(17(15)19(24)2552)2320(27)22121497681014h610H451113H213H3(H2222327)
MFCD01557687
ZINC000005093295
ZINC000005093301
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