Vitas-M small molecule compound
ethyl 2-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK016120
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)OC(C)C)sc2c1CCCC2
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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 C22H26N2O4S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S2/c1-4-27-21(26)18-16-7-5-6-8-17(16)30-20(18)24-22(29)23-19(25)14-9-11-15(12-10-14)28-13(2)3/h9-13H,4-8H2,1-3H3,(H2,23,24,25,29)InChIKey
JUFRIKGLWYKAHN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)OC(C)C
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)OC(C)C)sc2c1CCCC2
ethyl2((((4(propan2yloxy)phenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4propan2yloxybenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H26N2O4S2c142721(26)1816756817(16)3020(18)2422(29)2319(25)1491115(121014)2813(2)3h913H48H213H3(H223242529)
MFCD02626983
STK016120
ZINC000001171411
ZINC01171411
ZINC1171411
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