Vitas-M small molecule compound
ethyl 2-[({[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK806962
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC)c2ccc3c(c2)OCO3)sc2c1CCCC2
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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 C24H26N4O5S2 MW 514.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5S2/c1-3-28-21(14-9-10-16-17(11-14)33-13-32-16)26-27-24(28)34-12-19(29)25-22-20(23(30)31-4-2)15-7-5-6-8-18(15)35-22/h9-11H,3-8,12-13H2,1-2H3,(H,25,29)InChIKey
MGKAMYIXGYDYFO-UHFFFAOYSA-NSynonyms
496777-61-8496777618
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5
ethyl2((((5(13benzodioxol5yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H26N4O5S2c132821(149101617(1114)33133216)262724(28)341219(29)252220(23(30)3142)15756818(15)3522h911H381213H212H3(H2529)
MFCD03621377
ZINC000002695014
ZINC02695014
ZINC2695014
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