Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL241529
SMILES COc1ccc(cc1Cl)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C24H19ClN6O2S MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN6O2S/c1-13-9-16(14(2)30(13)17-6-7-20(33-3)19(25)11-17)10-18-21(26)31-24(28-22(18)32)34-23(29-31)15-5-4-8-27-12-15/h4-12,26H,1-3H3/b18-10+,26-21-InChIKey
KIFVIROJVKRZSE-LAGSWBNMSA-NSynonyms
844823-84-3(6E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844823843
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04160718
ZINC000009193180
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