Vitas-M small molecule compound
(6E)-6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224771
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)C)C)/C2=N)s1
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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 C27H33N5OS MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5OS/c1-6-7-8-9-10-14-24-30-32-25(28)22(26(33)29-27(32)34-24)16-21-15-18(3)31(20(21)5)23-13-11-12-17(2)19(23)4/h11-13,15-16,28H,6-10,14H2,1-5H3/b22-16+,28-25-InChIKey
BGJIBAUCHADAEB-JCYYTGCGSA-NSynonyms
848929-78-2(6E)6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848929782
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)C)C)C2=N)s1
MFCD05678110
ZINC000101178360
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