Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(furan-2-yl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224650
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)C)C)c1ccco1
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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 C23H18ClN5O2S MW 463.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O2S/c1-12-6-7-16(11-18(12)24)28-13(2)9-15(14(28)3)10-17-20(25)29-23(26-21(17)30)32-22(27-29)19-5-4-8-31-19/h4-11,25H,1-3H3/b17-10+,25-20-InChIKey
GHEBHZXAVOCNQI-QEIANXKMSA-NSynonyms
861634-55-1(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(furan2yl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(furan2yl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861634551
MFCD05685183
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C)c1ccco1
ZINC000009309022
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