Vitas-M small molecule compound
methyl 2-[({[4-ethyl-5-(2-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK438906
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2CC)C(O)(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 C18H24N4O4S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O4S2/c1-5-22-16(18(2,3)25)20-21-17(22)27-9-12(23)19-14-13(15(24)26-4)10-7-6-8-11(10)28-14/h25H,5-9H2,1-4H3,(H,19,23)InChIKey
QFFXESKPELBHJY-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C(C)(C)O
InChI=1SC18H24N4O4S2c152216(18(23)25)202117(22)27912(23)191413(15(24)264)1076811(10)2814h25H59H214H3(H1923)
methyl2((((4ethyl5(2hydroxypropan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2((4ETHYL5(2HYDROXYPROPAN2YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(2(4ETHYL5(1HYDROXYISOPROPYL)124TRIAZOL3YLTHIO)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD03945780
ZINC000017094061
ZINC17094061
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