Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK219161
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1COc1c(C)cccc1C
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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 C26H24N4O4S MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O4S/c1-17-10-12-21(13-11-17)29-24(15-34-25-18(2)6-4-7-19(25)3)27-28-26(29)35-16-23(31)20-8-5-9-22(14-20)30(32)33/h4-14H,15-16H2,1-3H3InChIKey
SIZTVBNSXDEYPM-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))COC4=C(C=CC=C4C)C
Cc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1COc1c(C)cccc1C
InChI=1SC26H24N4O4Sc117101221(131117)2924(15342518(2)64719(25)3)272826(29)351623(31)2085922(1420)30(32)33h414H1516H213H3
MFCD06006978
ZINC000002879770
ZINC02879770
ZINC2879770
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