Vitas-M small molecule compound
3-{[(1-carboxy-2-methylpropyl)carbamoyl]amino}benzoic acid
Catalog ID
STL531848
SMILES O=C(NC(C(=O)O)C(C)C)Nc1cccc(c1)C(=O)O
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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 C13H16N2O5 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O5/c1-7(2)10(12(18)19)15-13(20)14-9-5-3-4-8(6-9)11(16)17/h3-7,10H,1-2H3,(H,16,17)(H,18,19)(H2,14,15,20)InChIKey
MMHODZOJDYTSBJ-UHFFFAOYSA-NSynonyms
(S)3(3(1carboxy2methylpropyl)ureido)benzoicacid
3(((1carboxy2methylpropyl)carbamoyl)amino)benzoicacid
3((1carboxy2methylpropyl)carbamoylamino)benzoicacid
3((1HYDROXY3METHYL1OXOBUTAN2YL)CARBAMOYLAMINO)BENZOICACID
3754211
InChI=1SC13H16N2O5c17(2)10(12(18)19)1513(20)1495348(69)11(16)17h3710H12H3(H1617)(H1819)(H2141520)
MFCD31753988
O=C(N(C@H)(C(=O)O)C(C)C)Nc1cccc(c1)C(=O)O
ZINC000004064392
ZINC000015953541
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