Vitas-M small molecule compound
methyl 2-[({4-[(4-methoxyphenyl)sulfamoyl]phenyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK466236
SMILES COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=S)Nc1sc2c(c1C(=O)OC)CCCCC2
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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 C25H27N3O5S3 MW 545.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S3/c1-32-18-12-8-17(9-13-18)28-36(30,31)19-14-10-16(11-15-19)26-25(34)27-23-22(24(29)33-2)20-6-4-3-5-7-21(20)35-23/h8-15,28H,3-7H2,1-2H3,(H2,26,27,34)InChIKey
YSZBWAHJIMRQOJ-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)OC
InChI=1SC25H27N3O5S3c1321812817(91318)2836(3031)19141016(111519)2625(34)272322(24(29)332)206435721(20)3523h81528H37H212H3(H2262734)
methyl2(((4((4methoxyphenyl)sulfamoyl)phenyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((4((4methoxyphenyl)sulfamoyl)phenyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD06040064
ZINC000097947912
ZINC97947912
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