Vitas-M small molecule compound
2-[(5-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2H-tetrazole
Catalog ID
STK781996
SMILES CCn1c(nnc1Cn1nnc(n1)c1ccc(cc1)C)SCc1cc2OCOc2cc1Br
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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 C21H20BrN7O2S MW 514.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN7O2S/c1-3-28-19(10-29-26-20(24-27-29)14-6-4-13(2)5-7-14)23-25-21(28)32-11-15-8-17-18(9-16(15)22)31-12-30-17/h4-9H,3,10-12H2,1-2H3InChIKey
HQOHJYBIXANTMU-UHFFFAOYSA-NSynonyms
2((5(((6bromo13benzodioxol5yl)methyl)sulfanyl)4ethyl4H124triazol3yl)methyl)5(4methylphenyl)2Htetrazole
2((5((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)METHYL)5(4METHYLPHENYL)TETRAZOLE
CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)CN4N=C(N=N4)C5=CC=C(C=C5)C
InChI=1SC21H20BrN7O2Sc132819(10292620(242729)146413(2)5714)232521(28)32111581718(916(15)22)31123017h49H31012H212H3
MFCD06016294
ZINC000012413690
ZINC12413690
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