Vitas-M small molecule compound

2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone

Catalog ID
STK245585
SMILES COc1ccc(cc1C)CCCc1nnc(n1C)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-15-12-16(10-11-20(15)30-3)6-4-9-21-23-24-22(25(21)2)31-14-19(27)17-7-5-8-18(13-17)26(28)29/h5,7-8,10-13H,4,6,9,14H2,1-3H3
InChIKey
PVELPJJNOOLZPW-UHFFFAOYSA-N
Synonyms

2((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))OC
COc1ccc(cc1C)CCCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H24N4O4Sc1151216(101120(15)303)64921232422(25(21)2)311419(27)1775818(1317)26(28)29h5781013H46914H213H3
MFCD08670200
ZINC000009327567
ZINC09327567
ZINC9327567

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Available files

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