Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224321
SMILES CC(Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)C)C)/C2=N)s1)C
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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 C23H25N5OS MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5OS/c1-13(2)9-20-26-28-21(24)19(22(29)25-23(28)30-20)12-17-11-15(4)27(16(17)5)18-8-6-7-14(3)10-18/h6-8,10-13,24H,9H2,1-5H3/b19-12+,24-21-InChIKey
QZTBVIHVLXPFAO-KBEOOMRJSA-NSynonyms
1164484-82-5(6E)6((25dimethyl1(3methylphenyl)1Hpyrrol3yl)methylidene)5imino2(2methylpropyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(mtolyl)1Hpyrrol3yl)methylene)5imino2isobutyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1164484825
CC(Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)C)C)C2=N)s1)C
MFCD05680044
ZINC000005249902
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