Vitas-M small molecule compound
4-{2,5-dimethyl-3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK209178
SMILES [O-][N+](=O)c1c(/C=C/c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)onc1C
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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 C19H17N3O5 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5/c1-11-10-15(6-9-17-18(22(25)26)12(2)20-27-17)13(3)21(11)16-7-4-14(5-8-16)19(23)24/h4-10H,1-3H3,(H,23,24)/b9-6+InChIKey
CMMPQUIJUMCSBU-RMKNXTFCSA-NSynonyms
(O)(N+)(=O)c1c(C=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)onc1C
4(25DIMETHYL3((E)2(3METHYL4NITRO12OXAZOL5YL)ETHENYL)1HPYRROL1YL)BENZOICACID
4(25DIMETHYL3((E)2(3METHYL4NITRO12OXAZOL5YL)ETHENYL)PYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=CC3=C(C(=NO3)C)(N+)(=O)(O)
InChI=1SC19H17N3O5c1111015(691718(22(25)26)12(2)202717)13(3)21(11)167414(5816)19(23)24h410H13H3(H2324)b96+
MFCD06761288
ZINC000004746883
ZINC4746883
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