Vitas-M small molecule compound
4-{(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methyl-3-nitrobenzenesulfonate
Catalog ID
STL383020
SMILES Cc1ccc(cc1)C1=N/C(=C/c2ccc(cc2)OS(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])C)/C(=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 C24H18N2O7S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7S/c1-15-3-8-18(9-4-15)23-25-21(24(27)32-23)13-17-6-10-19(11-7-17)33-34(30,31)20-12-5-16(2)22(14-20)26(28)29/h3-14H,1-2H3/b21-13+InChIKey
MIYUAWPSCWIOOM-FYJGNVAPSA-NSynonyms
(4((E)(2(4METHYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4METHYL3NITROBENZENESULFONATE
4((E)(2(4methylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4methyl3nitrobenzenesulfonate
CC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C)(N+)(=O)(O))C(=O)O2
Cc1ccc(cc1)C1=NC(=Cc2ccc(cc2)OS(=O)(=O)c2ccc(c(c2)(N+)(=O)(O))C)C(=O)O1
InChI=1SC24H18N2O7Sc1153818(9415)232521(24(27)3223)131761019(11717)3334(3031)2012516(2)22(1420)26(28)29h314H12H3b2113+
MFCD02581310
ZINC000016116107
ZINC16116107
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