Vitas-M small molecule compound
N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide
Catalog ID
STK715717
SMILES COc1cc(ccc1OC)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 C24H18N2O6S MW 462.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O6S/c1-31-18-11-10-14(13-19(18)32-2)21-22(27)17-8-3-4-9-20(17)33-24(21)25-23(28)15-6-5-7-16(12-15)26(29)30/h3-13H,1-2H3,(H,25,28)InChIKey
PDQGDENRSPNONW-UHFFFAOYSA-NSynonyms
883965-95-5883965955
COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(ccc1OC)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc2c(c1=O)cccc2
InChI=1SC24H18N2O6Sc13118111014(1319(18)322)2122(27)17834920(17)3324(21)2523(28)1565716(1215)26(29)30h313H12H3(H2528)
MFCD06777606
N(3(34dimethoxyphenyl)4oxo4Hthiochromen2yl)3nitrobenzamide
N(3(34DIMETHOXYPHENYL)4OXOTHIOCHROMEN2YL)3NITROBENZAMIDE
ZINC000101333200
ZINC101333200
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