Vitas-M small molecule compound
(6E)-6-{[1-(3,4-dichlorophenyl)-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
STL225080
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)Cl)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 C23H23Cl2N5OS MW 488.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2N5OS/c1-5-14(6-2)22-28-30-20(26)17(21(31)27-23(30)32-22)10-15-9-12(3)29(13(15)4)16-7-8-18(24)19(25)11-16/h7-11,14,26H,5-6H2,1-4H3/b17-10+,26-20-InChIKey
NGJVBCCOBCKBSB-XEKKZNMASA-NSynonyms
848208-80-0(6E)6((1(34dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(34dichlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848208800
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)Cl)C)C2=N)s1)CC
MFCD04188472
ZINC000009161401
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