Vitas-M small molecule compound
N-(3,4-diethoxyphenyl)-N~3~-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}-beta-alaninamide
Catalog ID
STL115613
SMILES CCOc1cc(ccc1OCC)NC(=O)CCNC(=O)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
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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 C22H25N5O6S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O6S/c1-3-32-18-8-5-14(11-19(18)33-4-2)24-20(28)9-10-23-21(29)13-34-22-25-16-7-6-15(27(30)31)12-17(16)26-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,29)(H,24,28)(H,25,26)InChIKey
BALNLZXVGRWGFZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)NC(=O)CCNC(=O)CSC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O))OCC
CCOc1cc(ccc1OCC)NC(=O)CCNC(=O)CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
InChI=1SC22H25N5O6Sc1332188514(1119(18)3342)2420(28)9102321(29)13342225167615(27(30)31)1217(16)2622h581112H3491013H212H3(H2329)(H2428)(H2526)
MFCD20745670
N(34diethoxyphenyl)3((2((6nitro1Hbenzimidazol2yl)sulfanyl)acetyl)amino)propanamide
N(34diethoxyphenyl)N~3~(((5nitro1Hbenzimidazol2yl)sulfanyl)acetyl)betaalaninamide
N(34DIETHOXYPHENYL)N3(((5NITRO1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)BETAALANINAMIDE
ZINC000067317267
ZINC67317267
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