Vitas-M small molecule compound
3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-1,3,4-thiadiazol-2(3H)-iminium
Catalog ID
STK064736
SMILES Brc1cccc(c1)C(=O)Cn1nc(sc1=[NH2+])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 C11H11BrN3OS MW 313.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10BrN3OS/c1-7-14-15(11(13)17-7)6-10(16)8-3-2-4-9(12)5-8/h2-5,13H,6H2,1H3/p+1InChIKey
CGGBSEWIBHMYAX-UHFFFAOYSA-OSynonyms
2(2AMINO5METHYL134THIADIAZOL3IUM3YL)1(3BROMOPHENYL)ETHANONE
3(2(3BROMOPHENYL)2OXOETHYL)5METHYL134THIADIAZOL2(3H)IMINIUM
Brc1cccc(c1)C(=O)Cn1nc(sc1=(NH2+))C
CC1=N(N+)(=C(S1)N)CC(=O)C2=CC(=CC=C2)Br
InChI=1SC11H10BrN3OSc171415(11(13)177)610(16)83249(12)58h2513H6H21H3p+1
MFCD08051703
STK064736
ZINC000009553798
ZINC06223659
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