Vitas-M small molecule compound
ethyl 2-{[(3-methylphenyl)carbamothioyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Catalog ID
STK840241
SMILES CCOC(=O)c1c(NC(=S)Nc2cccc(c2)C)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/c1-5-25-20(24)18-15-10-16(12(2)3)26-11-17(15)28-19(18)23-21(27)22-14-8-6-7-13(4)9-14/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,27)InChIKey
NFJIMADSWKSRMA-UHFFFAOYSA-NSynonyms
384803-17-2384803172
CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NC3=CC=CC(=C3)C
ETHYL(5S)2(((3METHYLPHENYL)CARBAMOTHIOYL)AMINO)5(PROPAN2YL)47DIHYDRO5HTHIENO(23C)PYRAN3CARBOXYLATE
ethyl2(((3methylphenyl)carbamothioyl)amino)5(propan2yl)47dihydro5Hthieno(23c)pyran3carboxylate
ETHYL2((3METHYLPHENYL)CARBAMOTHIOYLAMINO)5PROPAN2YL57DIHYDRO4HTHIENO(23C)PYRAN3CARBOXYLATE
ethyl5isopropyl2(3(mtolyl)thioureido)57dihydro4Hthieno(23c)pyran3carboxylate
InChI=1SC21H26N2O3S2c152520(24)18151016(12(2)3)261117(15)2819(18)2321(27)221486713(4)914h691216H51011H214H3(H2222327)
MFCD03284580
ZINC000001127776
ZINC000001127778
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