Vitas-M small molecule compound

4-[3-(morpholin-4-yl)propyl]-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307295
SMILES [O-][N+](=O)c1ccc(cc1)OCc1cccc(c1)c1nnc(n1CCCN1CCOCC1)S

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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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c28-27(29)19-5-7-20(8-6-19)31-16-17-3-1-4-18(15-17)21-23-24-22(32)26(21)10-2-9-25-11-13-30-14-12-25/h1,3-8,15H,2,9-14,16H2,(H,24,32)
InChIKey
TVDOWROCQOQYMS-UHFFFAOYSA-N
Synonyms
828291-10-7
(O)(N+)(=O)c1ccc(cc1)OCc1cccc(c1)c1nnc(n1CCCN1CCOCC1)S
4(3(morpholin4yl)propyl)5(3((4nitrophenoxy)methyl)phenyl)4H124triazole3thiol
4(3MORPHOLIN4YLPROPYL)3(3((4NITROPHENOXY)METHYL)PHENYL)1H124TRIAZOLE5THIONE
4(3MORPHOLIN4YLPROPYL)5(3((4NITROPHENOXY)METHYL)PHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
828291107
C1COCCN1CCCN2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H25N5O4Sc2827(29)195720(8619)31161731418(1517)21232422(32)26(21)102925111330141225h13815H291416H2(H2432)
MFCD04053830
ZINC000013959871
ZINC13959871

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Available files

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