Vitas-M small molecule compound
(6E)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225065
SMILES COc1ccc(cc1Br)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
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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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-28-17-9-7-14(12-16(17)22)11-15-19(23)26-21(24-20(15)27)29-18(25-26)10-8-13-5-3-2-4-6-13/h7,9,11-13,23H,2-6,8,10H2,1H3/b15-11+,23-19-InChIKey
ZPYUGADNXXFKEZ-SGDRXCCESA-NSynonyms
(6E)6(3bromo4methoxybenzylidene)2(2cyclohexylethyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3bromo4methoxybenzylidene)2(2cyclohexylethyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1ccc(cc1Br)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD24858018
ZINC000033740062
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