Vitas-M small molecule compound
2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Catalog ID
STL378051
SMILES O=C(c1ccc(cc1Cl)[N+](=O)[O-])Nc1ccc(cc1)c1oc2c(n1)cc(c(c2)C)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 C22H16ClN3O4 MW 421.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4/c1-12-9-19-20(10-13(12)2)30-22(25-19)14-3-5-15(6-4-14)24-21(27)17-8-7-16(26(28)29)11-18(17)23/h3-11H,1-2H3,(H,24,27)InChIKey
XWODNWNFEDQCPC-UHFFFAOYSA-NSynonyms
2chloroN(4(56dimethyl13benzoxazol2yl)phenyl)4nitrobenzamide
CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC22H16ClN3O4c11291920(1013(12)2)3022(2519)143515(6414)2421(27)178716(26(28)29)1118(17)23h311H12H3(H2427)
MFCD02640663
O=C(c1ccc(cc1Cl)(N+)(=O)(O))Nc1ccc(cc1)c1oc2c(n1)cc(c(c2)C)C
ZINC000002982490
ZINC02982490
ZINC2982490
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