Vitas-M small molecule compound
4-ethoxy-N-{[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK173476
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)c1oc2c(n1)cc(cc2)CC
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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 C25H22N4O5S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S/c1-3-15-5-11-21-19(13-15)27-24(34-21)16-6-9-18(10-7-16)26-25(35)28-23(30)17-8-12-22(33-4-2)20(14-17)29(31)32/h5-14H,3-4H2,1-2H3,(H2,26,28,30,35)InChIKey
FUZJDAANUVALPY-UHFFFAOYSA-NSynonyms
4ETHOXYN((4(5ETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)c1oc2c(n1)cc(cc2)CC
InChI=1SC25H22N4O5Sc13155112119(1315)2724(3421)166918(10716)2625(35)2823(30)1781222(3342)20(1417)29(31)32h514H34H212H3(H226283035)
MFCD02820685
ZINC000003770765
ZINC03770765
ZINC3770765
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