Vitas-M small molecule compound
methyl 2-[({2-[(2,4-dimethoxyphenyl)sulfonyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK466679
SMILES COc1ccc(c(c1)OC)S(=O)(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCCCCC2
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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 C21H27N3O6S3 MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S3/c1-28-13-10-11-17(15(12-13)29-2)33(26,27)24-23-21(31)22-19-18(20(25)30-3)14-8-6-4-5-7-9-16(14)32-19/h10-12,24H,4-9H2,1-3H3,(H2,22,23,31)InChIKey
PEQLXURWEXIQKG-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)OC
InChI=1SC21H27N3O6S3c12813101117(15(1213)292)33(2627)242321(31)221918(20(25)303)1486457916(14)3219h101224H49H213H3(H2222331)
methyl2(((2((24dimethoxyphenyl)sulfonyl)hydrazinyl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((24dimethoxyphenyl)sulfonylamino)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD06057908
ZINC000015919320
ZINC15919320
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