Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methylphenyl)-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
STL225057
SMILES CCC(c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)C)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 C24H26ClN5OS MW 468.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5OS/c1-6-16(7-2)23-28-30-21(26)19(22(31)27-24(30)32-23)11-17-10-14(4)29(15(17)5)18-9-8-13(3)20(25)12-18/h8-12,16,26H,6-7H2,1-5H3/b19-11+,26-21-InChIKey
BROVHMMMYDBYOM-VMVATSLTSA-NSynonyms
848681-57-2(6E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848681572
CCC(c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)C)C)C2=N)s1)CC
MFCD04191287
ZINC000009193721
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