Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-[(5-{(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Catalog ID
STL168489
SMILES Fc1ccc(cc1)/C(=N/Nc1nnc([nH]1)SCC(=O)c1ccc2c(c1)OCO2)/C
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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 C19H16FN5O3S MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16FN5O3S/c1-11(12-2-5-14(20)6-3-12)22-23-18-21-19(25-24-18)29-9-15(26)13-4-7-16-17(8-13)28-10-27-16/h2-8H,9-10H2,1H3,(H2,21,23,24,25)/b22-11+InChIKey
JKBUHEFQZHBNRE-SSDVNMTOSA-NSynonyms
1(13benzodioxol5yl)2((5((2E)2(1(4fluorophenyl)ethylidene)hydrazinyl)1H124triazol3yl)sulfanyl)ethanone
1(13benzodioxol5yl)2((5((2E)2(1(4fluorophenyl)ethylidene)hydrazinyl)4H124triazol3yl)sulfanyl)ethanone
CC(=NNC1=NC(=NN1)SCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
Fc1ccc(cc1)C(=NNc1nnc((nH)1)SCC(=O)c1ccc2c(c1)OCO2)C
InChI=1SC19H16FN5O3Sc111(122514(20)6312)2223182119(252418)29915(26)13471617(813)28102716h28H910H21H3(H221232425)b2211+
MFCD08550832
ZINC000020608319
ZINC06854977
ZINC6854977
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