Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK186974
SMILES C=CCn1c(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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-11-25-20(13-30-21-15(2)7-5-8-16(21)3)23-24-22(25)31-14-19(27)17-9-6-10-18(12-17)26(28)29/h4-10,12H,1,11,13-14H2,2-3H3InChIKey
FRABFRPFOGGATB-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
C=CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1COc1c(C)cccc1C
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H22N4O4Sc14112520(13302115(2)75816(21)3)232422(25)311419(27)17961018(1217)26(28)29h41012H1111314H223H3
MFCD06005734
ZINC000001058564
ZINC01058564
ZINC1058564
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