Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017840
SMILES Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Br)OCc3ccccc3C)/C2=N)s1
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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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c1-12-5-3-4-6-15(12)11-28-18-8-7-14(10-17(18)22)9-16-19(23)26-21(24-20(16)27)29-13(2)25-26/h3-10,23H,11H2,1-2H3/b16-9-,23-19-InChIKey
YGGKAFOTYOTZTL-LFDSKBKOSA-NSynonyms
(6Z)6(3bromo4((2methylbenzyl)oxy)benzylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
Cc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Br)OCc3ccccc3C)C2=N)s1
MFCD08049710
STK017840
ZINC000008984989
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