Vitas-M small molecule compound
N-{2-[(2E)-2-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinyl]-2-oxoethyl}-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide (non-preferred name)
Catalog ID
STK021483
SMILES COc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)N/N=C/c1cc(n(c1C)c1ccccc1F)C
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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 C29H28FN5O6S MW 593.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5O6S/c1-19-9-14-25(16-28(19)35(37)38)42(39,40)33(23-10-12-24(41-4)13-11-23)18-29(36)32-31-17-22-15-20(2)34(21(22)3)27-8-6-5-7-26(27)30/h5-17H,18H2,1-4H3,(H,32,36)/b31-17+InChIKey
FNBKIVXWVKQSRQ-KBVAKVRCSA-NSynonyms
CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=C(N(C(=C2)C)C3=CC=CC=C3F)C)C4=CC=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)CC(=O)NN=Cc1cc(n(c1C)c1ccccc1F)C
InChI=1SC29H28FN5O6Sc11991425(1628(19)35(37)38)42(3940)33(23101224(414)131123)1829(36)323117221520(2)34(21(22)3)27865726(27)30h517H18H214H3(H3236)b3117+
MFCD01967921
N((E)(1(2fluorophenyl)25dimethylpyrrol3yl)methylideneamino)2(4methoxyN(4methyl3nitrophenyl)sulfonylanilino)acetamide
N(2((2E)2((1(2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)N(4METHOXYPHENYL)4METHYL3NITROBENZENESULFONAMIDE(NONPREFERREDNAME)
STK021483
ZINC000100343599
ZINC100343596
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.