Vitas-M small molecule compound
benzyl ({4-benzyl-5-[(phenylamino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL186023
SMILES O=C(CSc1nnc(n1Cc1ccccc1)CNc1ccccc1)OCc1ccccc1
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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 C25H24N4O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S/c30-24(31-18-21-12-6-2-7-13-21)19-32-25-28-27-23(16-26-22-14-8-3-9-15-22)29(25)17-20-10-4-1-5-11-20/h1-15,26H,16-19H2InChIKey
LFNLRDNRBVADAE-UHFFFAOYSA-NSynonyms
benzyl((4benzyl5((phenylamino)methyl)4H124triazol3yl)sulfanyl)acetate
benzyl2((5(anilinomethyl)4benzyl124triazol3yl)sulfanyl)acetate
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OCC3=CC=CC=C3)CNC4=CC=CC=C4
InChI=1SC25H24N4O2Sc3024(311821126271321)193225282723(162622148391522)29(25)1720104151120h11526H1619H2
MFCD22387666
ZINC000072329960
ZINC72329960
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