Vitas-M small molecule compound
methyl 2-({[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylsulfamoyl)phenyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK455442
SMILES COC(=O)c1c(NC(=S)Nc2ccc(cc2)S(=O)(=O)NC23CC4CC(C3)CC(C2)C4)sc2c1CCC2
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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 C26H31N3O4S3 MW 545.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4S3/c1-33-24(30)22-20-3-2-4-21(20)35-23(22)28-25(34)27-18-5-7-19(8-6-18)36(31,32)29-26-12-15-9-16(13-26)11-17(10-15)14-26/h5-8,15-17,29H,2-4,9-14H2,1H3,(H2,27,28,34)InChIKey
TXFRIWIAYDZWEV-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5
InChI=1SC26H31N3O4S3c13324(30)222032421(20)3523(22)2825(34)27185719(8618)36(3132)29261215916(1326)1117(1015)1426h58151729H24914H21H3(H2272834)
METHYL2((((4((ADAMANTANYLAMINO)SULFONYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((4(tricyclo(3311~37~)dec1ylsulfamoyl)phenyl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((4(1ADAMANTYLSULFAMOYL)PHENYL)CARBAMOTHIOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000059873805
ZINC59873805
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