Vitas-M small molecule compound
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
Catalog ID
STK180491
SMILES O=C(c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)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 C21H14ClN3O4 MW 407.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4/c1-12-6-7-13(10-16(12)22)21-24-17-11-14(8-9-19(17)29-21)23-20(26)15-4-2-3-5-18(15)25(27)28/h2-11H,1H3,(H,23,26)InChIKey
HASLKGXWWBIFEN-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4(N+)(=O)(O))Cl
InChI=1SC21H14ClN3O4c1126713(1016(12)22)2124171114(8919(17)2921)2320(26)15423518(15)25(27)28h211H1H3(H2326)
MFCD03061850
N(2(3CHLORO4METHYLPHENYL)13BENZOXAZOL5YL)2NITROBENZAMIDE
O=C(c1ccccc1(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)C
ZINC000001146200
ZINC01146200
ZINC1146200
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