Vitas-M small molecule compound
2-{[5-(1H-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Catalog ID
STK957454
SMILES Brc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2
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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 C23H17BrN6OS MW 505.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN6OS/c24-17-12-10-16(11-13-17)21(31)15-32-23-27-26-22(30(23)18-6-2-1-3-7-18)14-29-20-9-5-4-8-19(20)25-28-29/h1-13H,14-15H2InChIKey
NJSYDGANKOMYAN-UHFFFAOYSA-NSynonyms
352685-94-02((5(1H123BENZOTRIAZOL1YLMETHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((5(1Hbenzotriazol1ylmethyl)4phenyl4H124triazol3yl)sulfanyl)1(4bromophenyl)ethanone
2((5(BENZOTRIAZOL1YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
352685940
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4
InChI=1SC23H17BrN6OSc2417121016(111317)21(31)153223272622(30(23)186213718)142920954819(20)252829h113H1415H2
MFCD01432109
ZINC000000996502
ZINC00996502
ZINC996502
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