Vitas-M small molecule compound
ethyl 2-[(benzylcarbamothioyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK984209
SMILES CCOC(=O)c1c(NC(=S)NCc2ccccc2)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 C23H30N2O2S2 MW 430.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O2S2/c1-5-27-21(26)19-17-12-11-16(23(2,3)4)13-18(17)29-20(19)25-22(28)24-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14H2,1-4H3,(H2,24,25,28)InChIKey
WEUPEKIOUHPJPK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=S)NCC3=CC=CC=C3
ethyl2((benzylcarbamothioyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(benzylcarbamothioylamino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H30N2O2S2c152721(26)1917121116(23(23)4)1318(17)2920(19)2522(28)24141597681015h61016H51114H214H3(H2242528)
MFCD01907405
ZINC000006599767
ZINC000006599768
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