Vitas-M small molecule compound
methyl 2-[({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK467038
SMILES COC(=O)c1c(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2noc(c2)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 C21H22N4O5S3 MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S3/c1-12-11-17(24-30-12)25-33(27,28)14-9-7-13(8-10-14)22-21(31)23-19-18(20(26)29-2)15-5-3-4-6-16(15)32-19/h7-11H,3-6H2,1-2H3,(H,24,25)(H2,22,23,31)InChIKey
QKDVPMAUFRRDAB-UHFFFAOYSA-NSynonyms
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC21H22N4O5S3c1121117(243012)2533(2728)149713(81014)2221(31)231918(20(26)292)15534616(15)3219h711H36H212H3(H2425)(H2222331)
methyl2(((4((5methyl12oxazol3yl)sulfamoyl)phenyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4((5methyl12oxazol3yl)sulfamoyl)phenyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD06143332
ZINC000020356903
ZINC20356903
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