Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK807143
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2
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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 C24H18N4O5S MW 474.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O5S/c29-19(16-10-12-18(13-11-16)28(30)31)15-34-24-26-25-23(27(24)17-6-2-1-3-7-17)22-14-32-20-8-4-5-9-21(20)33-22/h1-13,22H,14-15H2InChIKey
IKOGAJQKVRNTMC-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin2yl)4phenyl4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2((5(23DIHYDRO14BENZODIOXIN3YL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC24H18N4O5Sc2919(16101218(131116)28(30)31)153424262523(27(24)176213717)22143220845921(20)3322h11322H1415H2
MFCD03621298
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2
ZINC000002674966
ZINC000002674967
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