Vitas-M small molecule compound
1-({6-[(4-bromophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Catalog ID
STK500072
SMILES Brc1ccc(cc1)OCc1nn2c(s1)nnc2Cn1nnc2c1cccc2
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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 C17H12BrN7OS MW 442.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN7OS/c18-11-5-7-12(8-6-11)26-10-16-22-25-15(20-21-17(25)27-16)9-24-14-4-2-1-3-13(14)19-23-24/h1-8H,9-10H2InChIKey
CAAAEMWEBLMJRD-UHFFFAOYSA-NSynonyms
(3(1H123BENZOTRIAZOL1YLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYL4BROMOPHENYLETHER
1((6((4bromophenoxy)methyl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)1Hbenzotriazole
3(benzotriazol1ylmethyl)6((4bromophenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)COC5=CC=C(C=C5)Br
InChI=1SC17H12BrN7OSc18115712(8611)261016222515(202117(25)2716)92414421313(14)192324h18H910H2
MFCD06590327
ZINC000008453200
ZINC08453200
ZINC8453200
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