Vitas-M small molecule compound
ethyl 2-({[1-(1,3-benzodioxol-5-yl)ethyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456869
SMILES CCOC(=O)c1c(NC(=S)NC(c2ccc3c(c2)OCO3)C)sc2c1CCCCC2
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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/c1-3-26-21(25)19-15-7-5-4-6-8-18(15)30-20(19)24-22(29)23-13(2)14-9-10-16-17(11-14)28-12-27-16/h9-11,13H,3-8,12H2,1-2H3,(H2,23,24,29)InChIKey
UGLNRSBERQPRSV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(C)C3=CC4=C(C=C3)OCO4
ethyl2(((1(13benzodioxol5yl)ethyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(1(13benzodioxol5yl)ethylcarbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC22H26N2O4S2c132621(25)19157546818(15)3020(19)2422(29)2313(2)149101617(1114)28122716h91113H3812H212H3(H2232429)
MFCD04137135
ZINC000002858779
ZINC000002858780
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