Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK005554
SMILES Cc1cccc(c1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c1-12-4-3-5-15(8-12)11-28-18-7-6-14(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
QLNHTRJIETYKQK-LFDSKBKOSA-NSynonyms
(6Z)6(3bromo4((3methylbenzyl)oxy)benzylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
Cc1cccc(c1)COc1ccc(cc1Br)C=C1C(=O)N=c2n(C1=N)nc(s2)C
MFCD08049180
STK005554
ZINC000012285267
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