Vitas-M small molecule compound
4-{2-[(3-methyl-4-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoic acid
Catalog ID
STK425301
SMILES O=C(CCC(=O)O)NNC(=O)c1ccc(c(c1)C)[N+](=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 C12H13N3O6 MW 295.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O6/c1-7-6-8(2-3-9(7)15(20)21)12(19)14-13-10(16)4-5-11(17)18/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,19)(H,17,18)InChIKey
RQRMLHUBXMZFGL-UHFFFAOYSA-NSynonyms
3(N((3METHYL4NITROPHENYL)CARBONYLAMINO)CARBAMOYL)PROPANOICACID
4(2((3methyl4nitrophenyl)carbonyl)hydrazinyl)4oxobutanoicacid
4(2(3METHYL4NITROBENZOYL)HYDRAZINYL)4OXOBUTANOICACID
CC1=C(C=CC(=C1)C(=O)NNC(=O)CCC(=O)O)(N+)(=O)(O)
InChI=1SC12H13N3O6c1768(239(7)15(20)21)12(19)141310(16)4511(17)18h236H45H21H3(H1316)(H1419)(H1718)
MFCD02375096
O=C(CCC(=O)O)NNC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000002784165
ZINC2784165
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