Vitas-M small molecule compound

1-(3-nitrophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK841385
SMILES COc1cc(cc(c1OC)OC)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 C25H22N4O6S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O6S/c1-33-21-13-17(14-22(34-2)23(21)35-3)24-26-27-25(28(24)18-9-5-4-6-10-18)36-15-20(30)16-8-7-11-19(12-16)29(31)32/h4-14H,15H2,1-3H3
InChIKey
WFBLCPSGSRUPHG-UHFFFAOYSA-N
Synonyms
327093-32-3
1(3NITROPHENYL)2((4PHENYL5(345TRIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(3nitrophenyl)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)ethanone
1(3nitrophenyl)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)ethanone
327093323
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H22N4O6Sc133211317(1422(342)23(21)353)24262725(28(24)1895461018)361520(30)16871119(1216)29(31)32h414H15H213H3
MFCD02659545
ZINC000001184647
ZINC01184647
ZINC1184647

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Available files

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