Vitas-M small molecule compound
methyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK450296
SMILES CCOc1cc(CCNC(=S)Nc2sc3c(c2C(=O)OC)CCC3)ccc1OCC
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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 C22H28N2O4S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S2/c1-4-27-16-10-9-14(13-17(16)28-5-2)11-12-23-22(29)24-20-19(21(25)26-3)15-7-6-8-18(15)30-20/h9-10,13H,4-8,11-12H2,1-3H3,(H2,23,24,29)InChIKey
BATCQPLETSTZFH-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)OCC
InChI=1SC22H28N2O4S2c14271610914(1317(16)2852)11122322(29)242019(21(25)263)1576818(15)3020h91013H481112H213H3(H2232429)
METHYL2((((2(34DIETHOXYPHENYL)ETHYL)AMINO)THIOXOMETHYL)AMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(((2(34diethoxyphenyl)ethyl)carbamothioyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2(2(34diethoxyphenyl)ethylcarbamothioylamino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD06194993
ZINC000019648017
ZINC19648017
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