Vitas-M small molecule compound
methyl 4-[({4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate
Catalog ID
STK095667
SMILES COC(=O)CCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)cc(c1)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 C20H23N3O5S2 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S2/c1-13-10-14(2)12-16(11-13)23-30(26,27)17-6-4-15(5-7-17)21-20(29)22-18(24)8-9-19(25)28-3/h4-7,10-12,23H,8-9H2,1-3H3,(H2,21,22,24,29)InChIKey
VNGNXYUNZYSBGK-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC)C
COC(=O)CCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)cc(c1)C
InChI=1SC20H23N3O5S2c1131014(2)1216(1113)2330(2627)176415(5717)2120(29)2218(24)8919(25)283h47101223H89H213H3(H221222429)
METHYL4(((4((35DIMETHYLANILINO)SULFONYL)ANILINO)CARBOTHIOYL)AMINO)4OXOBUTANOATE
METHYL4(((4((35DIMETHYLPHENYL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)AMINO)4OXOBUTANOATE
METHYL4((4((35DIMETHYLPHENYL)SULFAMOYL)PHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
MFCD03586661
STK095667
ZINC000002135595
ZINC02135595
ZINC2135595
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.