Vitas-M small molecule compound
2-{[(6-bromo-1,3-benzothiazol-2-yl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK898845
SMILES Brc1ccc2c(c1)sc(n2)NC=C1C(=O)CC(CC1=O)(C)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 C16H15BrN2O2S MW 379.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN2O2S/c1-16(2)6-12(20)10(13(21)7-16)8-18-15-19-11-4-3-9(17)5-14(11)22-15/h3-5,8H,6-7H2,1-2H3,(H,18,19)InChIKey
DHXYKFRBARKNGX-UHFFFAOYSA-NSynonyms
2(((6bromo13benzothiazol2yl)amino)methylidene)55dimethylcyclohexane13dione
CC1(CC(=O)C(=CNC2=NC3=C(S2)C=C(C=C3)Br)C(=O)C1)C
InChI=1SC16H15BrN2O2Sc116(2)612(20)10(13(21)716)818151911439(17)514(11)2215h358H67H212H3(H1819)
MFCD09039928
ZINC000013999581
ZINC13999581
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