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Vitas-M small molecule compound

3-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3-(3-nitrophenyl)propanoic acid

Catalog ID
STK682755
SMILES OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1c(C)onc1c1ccccc1Cl

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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 C20H16ClN3O6 MW 429.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O6/c1-11-18(19(23-30-11)14-7-2-3-8-15(14)21)20(27)22-16(10-17(25)26)12-5-4-6-13(9-12)24(28)29/h2-9,16H,10H2,1H3,(H,22,27)(H,25,26)
InChIKey
BWBYUVWNQFTRDU-UHFFFAOYSA-N
Synonyms
3(((3(2chlorophenyl)5methyl12oxazol4yl)carbonyl)amino)3(3nitrophenyl)propanoicacid
3((3(2CHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)3(3NITROPHENYL)PROPANOICACID
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O)
OC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1c(C)onc1c1ccccc1Cl
Registry IDs
MFCD04060696
ZINC000008892219
ZINC000008892220

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Available files

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

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