Vitas-M small molecule compound

4-methoxy-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide

Catalog ID
STK052949
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)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 C23H19N3O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5/c1-13-4-8-20-18(10-13)25-23(31-20)16-6-5-14(2)17(11-16)24-22(27)15-7-9-21(30-3)19(12-15)26(28)29/h4-12H,1-3H3,(H,24,27)
InChIKey
HRQJQIOUEPCAFW-UHFFFAOYSA-N
Synonyms

3NITRO4METHOXYN(2METHYL5(5METHYL13BENZOXAZOL2YL)PHENYL)BENZAMIDE
4METHOXYN(2METHYL5(5METHYL13BENZOXAZOL2YL)PHENYL)3NITROBENZAMIDE
4METHOXYN(2METHYL5(5METHYLBENZOOXAZOL2YL)PHENYL)3NITROBENZAMIDE
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)C
InChI=1SC23H19N3O5c113482018(1013)2523(3120)166514(2)17(1116)2422(27)157921(303)19(1215)26(28)29h412H13H3(H2427)
MFCD00753831
STK052949
ZINC000004578222
ZINC04578222
ZINC4578222

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.