Vitas-M small molecule compound
(6E)-6-{[1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145993
SMILES CCOc1ccccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)F
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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 C26H22FN5O2S MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5O2S/c1-4-34-22-8-6-5-7-21(22)31-15(2)13-18(16(31)3)14-20-23(28)32-26(29-24(20)33)35-25(30-32)17-9-11-19(27)12-10-17/h5-14,28H,4H2,1-3H3/b20-14+,28-23-InChIKey
AFDHZPFFXHJHKO-KDZKWUCFSA-NSynonyms
850762-13-9(6E)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(4fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2(4fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850762139
CCOc1ccccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)F
MFCD05694978
ZINC000009291405
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