Vitas-M small molecule compound
(6E)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224508
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3c(C)cccc3C)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 C25H29N5OS MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5OS/c1-6-7-8-12-21-28-30-23(26)20(24(31)27-25(30)32-21)14-19-13-17(4)29(18(19)5)22-15(2)10-9-11-16(22)3/h9-11,13-14,26H,6-8,12H2,1-5H3/b20-14+,26-23-InChIKey
WSVLNZGQZCKGMI-OYJZPLNUSA-NSynonyms
847174-88-3(6E)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847174883
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3c(C)cccc3C)C)C2=N)s1
MFCD04183394
ZINC000009159620
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