Vitas-M small molecule compound

3-[(2E)-3-(2-chloro-7-methylquinolin-3-yl)prop-2-enoyl]-6-nitro-4-phenylquinolin-2(1H)-one

Catalog ID
STK857232
SMILES Cc1ccc2c(c1)nc(c(c2)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-])Cl

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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 C28H18ClN3O4 MW 495.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18ClN3O4/c1-16-7-8-18-14-19(27(29)30-23(18)13-16)9-12-24(33)26-25(17-5-3-2-4-6-17)21-15-20(32(35)36)10-11-22(21)31-28(26)34/h2-15H,1H3,(H,31,34)/b12-9+
InChIKey
GMBLUBKPBGUVBK-FMIVXFBMSA-N
Synonyms
1322223-58-4
1322223584
3((2E)3(2chloro7methylquinolin3yl)prop2enoyl)6nitro4phenylquinolin2(1H)one
3((E)3(2CHLORO7METHYLQUINOLIN3YL)PROP2ENOYL)6NITRO4PHENYL1HQUINOLIN2ONE
CC1=CC2=NC(=C(C=C2C=C1)C=CC(=O)C3=C(C4=C(C=CC(=C4)(N+)(=O)(O))NC3=O)C5=CC=CC=C5)Cl
Cc1ccc2c(c1)nc(c(c2)C=CC(=O)c1c(=O)(nH)c2c(c1c1ccccc1)cc(cc2)(N+)(=O)(O))Cl
InChI=1SC28H18ClN3O4c11678181419(27(29)3023(18)1316)91224(33)2625(175324617)211520(32(35)36)101122(21)3128(26)34h215H1H3(H3134)b129+
MFCD00193217
ZINC000009348688
ZINC09348688
ZINC9348688

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Available files

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