Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL170562
SMILES CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C
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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 C19H25N5O5S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O5S/c1-5-29-17(26)15-12-7-6-11(19(2,3)4)8-13(12)30-16(15)21-14(25)9-23-10-20-18(22-23)24(27)28/h10-11H,5-9H2,1-4H3,(H,21,25)InChIKey
WJEXOVQBBJSHOX-UHFFFAOYSA-NSynonyms
313248-73-6313248736
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CN3C=NC(=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cn2cnc(n2)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((3nitro1H124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(3nitro124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H25N5O5Sc152917(26)15127611(19(23)4)813(12)3016(15)2114(25)923102018(2223)24(27)28h1011H59H214H3(H2125)
MFCD01450551
ZINC000002081463
ZINC000002081464
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