Vitas-M small molecule compound
(6E)-6-{[1-(3-chlorophenyl)-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
STL224522
SMILES Clc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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 C22H16ClN5O2S MW 449.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN5O2S/c1-12-9-14(13(2)27(12)16-6-3-5-15(23)11-16)10-17-19(24)28-22(25-20(17)29)31-21(26-28)18-7-4-8-30-18/h3-11,24H,1-2H3/b17-10+,24-19-InChIKey
LMLMJSGRXKFXJS-ZEDMQXHWSA-NSynonyms
1392297-93-6(6E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(furan2yl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2(furan2yl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1392297936
Clc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccco1
MFCD05683205
ZINC000009307648
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