Vitas-M small molecule compound
N-[3-(4-methoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide
Catalog ID
STK715705
SMILES COc1ccc(cc1)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c(c1=O)cccc2
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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 C23H16N2O5S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O5S/c1-30-17-11-9-14(10-12-17)20-21(26)18-7-2-3-8-19(18)31-23(20)24-22(27)15-5-4-6-16(13-15)25(28)29/h2-13H,1H3,(H,24,27)InChIKey
KHYWSAIDYKPCRI-UHFFFAOYSA-NSynonyms
879455-69-3879455693
COC1=CC=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc2c(c1=O)cccc2
InChI=1SC23H16N2O5Sc1301711914(101217)2021(26)18723819(18)3123(20)2422(27)1554616(1315)25(28)29h213H1H3(H2427)
MFCD06782437
N(3(4methoxyphenyl)4oxo4Hthiochromen2yl)3nitrobenzamide
N(3(4METHOXYPHENYL)4OXOTHIOCHROMEN2YL)3NITROBENZAMIDE
ZINC000101345207
ZINC101345207
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