Vitas-M small molecule compound
(6E)-6-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225048
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3Cl)C)/C2=N)s1)CC
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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 C23H24ClN5OS MW 454.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5OS/c1-5-15(6-2)22-27-29-20(25)17(21(30)26-23(29)31-22)12-16-11-13(3)28(14(16)4)19-10-8-7-9-18(19)24/h7-12,15,25H,5-6H2,1-4H3/b17-12+,25-20-InChIKey
XIMPSWYLHQKNQQ-TVISQWMASA-NSynonyms
845666-88-8(6E)6((1(2chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845666888
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3Cl)C)C2=N)s1)CC
MFCD04169089
ZINC000009281796
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