Vitas-M small molecule compound
ethyl 2-[({[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK445754
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CCC)C(C)C)sc2c1CCC2
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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 C20H28N4O3S2 MW 436.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3S2/c1-5-10-24-17(12(3)4)22-23-20(24)28-11-15(25)21-18-16(19(26)27-6-2)13-8-7-9-14(13)29-18/h12H,5-11H2,1-4H3,(H,21,25)InChIKey
KDVBCBKUVXLXKC-UHFFFAOYSA-NSynonyms
CCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)C(C)C
ethyl2((((5(propan2yl)4propyl4H124triazol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((2((5propan2yl4propyl124triazol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(2(5(METHYLETHYL)4PROPYL124TRIAZOL3YLTHIO)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
InChI=1SC20H28N4O3S2c15102417(12(3)4)222320(24)281115(25)211816(19(26)2762)1387914(13)2918h12H511H214H3(H2125)
MFCD04058342
ZINC000017100740
ZINC17100740
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