Vitas-M small molecule compound
(6E)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224187
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3OC)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 C24H27N5O2S MW 449.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2S/c1-5-6-7-12-21-27-29-22(25)18(23(30)26-24(29)32-21)14-17-13-15(2)28(16(17)3)19-10-8-9-11-20(19)31-4/h8-11,13-14,25H,5-7,12H2,1-4H3/b18-14+,25-22-InChIKey
ZXIOPPYSRVEBQG-GNCXKQDYSA-NSynonyms
877792-19-3(6E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877792193
CCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3OC)C)C2=N)s1
MFCD05702380
ZINC000009293438
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