Vitas-M small molecule compound
(6E)-2-hexyl-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
STL224646
SMILES CCCCCCc1nn2c(=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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-5-6-7-8-12-22-28-30-23(26)21(24(31)27-25(30)33-22)14-18-13-16(2)29(17(18)3)19-10-9-11-20(15-19)32-4/h9-11,13-15,26H,5-8,12H2,1-4H3/b21-14+,26-23-InChIKey
MYOLRXOSAIPGFR-RVOSABIYSA-NSynonyms
877808-54-3(6E)2hexyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2hexyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877808543
CCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)OC)C)C2=N)s1
MFCD05705921
ZINC000009293668
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