Vitas-M small molecule compound

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

Catalog ID
STK119942
SMILES Cn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1COc1ccccc1C

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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-13-5-3-4-6-17(13)27-11-18-20-21-19(22(18)2)28-12-16(24)14-7-9-15(10-8-14)23(25)26/h3-10H,11-12H2,1-2H3
InChIKey
QPVSFQOYWLAMKX-UHFFFAOYSA-N
Synonyms

2((4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
Cn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1COc1ccccc1C
InChI=1SC19H18N4O4Sc113534617(13)271118202119(22(18)2)281216(24)147915(10814)23(25)26h310H1112H212H3
MFCD04211635
ZINC000001141331
ZINC01141331
ZINC1141331

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Available files

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