Vitas-M small molecule compound
4-ethoxy-N-{[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK412222
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)OC
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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 C25H22N4O6S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O6S/c1-4-34-22-9-7-15(12-20(22)29(31)32)23(30)28-25(36)27-18-11-16(6-5-14(18)2)24-26-19-13-17(33-3)8-10-21(19)35-24/h5-13H,4H2,1-3H3,(H2,27,28,30,36)InChIKey
SKMLBKISKRWKKO-UHFFFAOYSA-NSynonyms
4ethoxyN((5(5methoxy13benzoxazol2yl)2methylphenyl)carbamothioyl)3nitrobenzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)OC)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)OC
InChI=1SC25H22N4O6Sc1434229715(1220(22)29(31)32)23(30)2825(36)27181116(6514(18)2)2426191317(333)81021(19)3524h513H4H213H3(H227283036)
MFCD05806541
ZINC000016383821
ZINC16383821
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