Vitas-M small molecule compound
ethyl 2-[({[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK230188
SMILES CCOC(=O)C1=C(NC(=O)CSc2nnc(o2)c2noc(c2)C)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 C19H22N4O5S2 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O5S2/c1-3-26-18(25)15-11-6-4-5-7-13(11)30-17(15)20-14(24)9-29-19-22-21-16(27-19)12-8-10(2)28-23-12/h8,11,13H,3-7,9H2,1-2H3,(H,20,24)InChIKey
KBPWDPPNPNNXFR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)CSC3=NN=C(O3)C4=NOC(=C4)C
ethyl2((((5(5methyl12oxazol3yl)134oxadiazol2yl)sulfanyl)acetyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2((2((5(5methyl12oxazol3yl)134oxadiazol2yl)sulfanyl)acetyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
InChI=1SC19H22N4O5S2c132618(25)1511645713(11)3017(15)2014(24)92919222116(2719)12810(2)282312h81113H379H212H3(H2024)
MFCD08684876
ZINC000009289655
ZINC000009289660
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