Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK497571
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C24H20N4O5S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5S/c1-32-21-12-11-17(14-22(21)33-2)23-25-26-24(27(23)18-8-4-3-5-9-18)34-15-20(29)16-7-6-10-19(13-16)28(30)31/h3-14H,15H2,1-2H3InChIKey
VEBBXPFCHVZWBF-UHFFFAOYSA-NSynonyms
2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2(5(34DIMETHOXYPHENYL)4PHENYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC24H20N4O5Sc13221121117(1422(21)332)23252624(27(23)188435918)341520(29)16761019(1316)28(30)31h314H15H212H3
MFCD11854959
ZINC000015019497
ZINC15019497
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