Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-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
STL224647
SMILES CCCCCc1sc2=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)OCC)C)/C(=N)n2n1
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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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-5-7-8-9-22-28-30-23(26)21(24(31)27-25(30)33-22)15-18-14-16(3)29(17(18)4)19-10-12-20(13-11-19)32-6-2/h10-15,26H,5-9H2,1-4H3/b21-15+,26-23-InChIKey
DOMSUZMVDVXPGR-RGXZFPMGSA-NSynonyms
845666-22-0(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2pentyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845666220
CCCCCc1sc2=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3)OCC)C)C(=N)n2n1
MFCD04168996
ZINC000009281785
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