Vitas-M small molecule compound
(6E)-2-heptyl-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224779
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)OC)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 C26H31N5O2S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O2S/c1-5-6-7-8-9-13-23-29-31-24(27)22(25(32)28-26(31)34-23)15-19-14-17(2)30(18(19)3)20-11-10-12-21(16-20)33-4/h10-12,14-16,27H,5-9,13H2,1-4H3/b22-15+,27-24-InChIKey
HMQOKTZIRJHNKZ-VBMYQUNLSA-NSynonyms
667880-68-4(6E)2heptyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2heptyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
667880684
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)OC)C)C2=N)s1
MFCD03865920
ZINC000008450649
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Check stock on Vitas-MAvailable files
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