Vitas-M small molecule compound
4-chloro-3-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
Catalog ID
STK276463
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Nc1ccc(cc1)c1nc2ccccc2c(=O)o1
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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 C21H12ClN3O5 MW 421.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClN3O5/c22-16-10-7-13(11-18(16)25(28)29)19(26)23-14-8-5-12(6-9-14)20-24-17-4-2-1-3-15(17)21(27)30-20/h1-11H,(H,23,26)InChIKey
RKLYVOYDGQDRHS-UHFFFAOYSA-NSynonyms
4chloro3nitroN(4(4oxo31benzoxazin2yl)phenyl)benzamide
4chloro3nitroN(4(4oxo4H31benzoxazin2yl)phenyl)benzamide
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC21H12ClN3O5c221610713(1118(16)25(28)29)19(26)23148512(6914)202417421315(17)21(27)3020h111H(H2326)
MFCD07113227
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Nc1ccc(cc1)c1nc2ccccc2c(=O)o1
ZINC000013941647
ZINC13941647
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