Vitas-M small molecule compound
ethyl 2-{[(3,4-dimethylphenyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438968
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(c(c2)C)C)sc2c1CCCCCC2
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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 C22H28N2O2S2 MW 416.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O2S2/c1-4-26-21(25)19-17-9-7-5-6-8-10-18(17)28-20(19)24-22(27)23-16-12-11-14(2)15(3)13-16/h11-13H,4-10H2,1-3H3,(H2,23,24,27)InChIKey
MPQASXROOKWKMM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=C(C=C3)C)C
ethyl2(((34dimethylphenyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((34dimethylphenyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC22H28N2O2S2c142621(25)1917975681018(17)2820(19)2422(27)2316121114(2)15(3)1316h1113H410H213H3(H2232427)
MFCD03945832
ZINC000005948037
ZINC05948037
ZINC5948037
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Check stock on Vitas-MAvailable files
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