Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK829941
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)OC)sc2c1CCC(C2)C(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 C23H30N2O3S2 MW 446.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O3S2/c1-6-28-21(26)19-17-12-7-14(23(2,3)4)13-18(17)30-20(19)25-22(29)24-15-8-10-16(27-5)11-9-15/h8-11,14H,6-7,12-13H2,1-5H3,(H2,24,25,29)InChIKey
NMRLHRPHQLTQTC-UHFFFAOYSA-NSynonyms
351161-13-2351161132
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=S)NC3=CC=C(C=C3)OC
ethyl6(tertbutyl)2(3(4methoxyphenyl)thioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl6tertbutyl2(((4methoxyphenyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((4methoxyphenyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H30N2O3S2c162821(26)191712714(23(23)4)1318(17)3020(19)2522(29)241581016(275)11915h81114H671213H215H3(H2242529)
MFCD01950978
ZINC000002283121
ZINC000002283122
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