Vitas-M small molecule compound
(6E)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224862
SMILES Cc1cccc(c1)OCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)F)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 C26H22FN5O2S MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5O2S/c1-15-6-4-9-21(10-15)34-14-23-30-32-24(28)22(25(33)29-26(32)35-23)12-18-11-16(2)31(17(18)3)20-8-5-7-19(27)13-20/h4-13,28H,14H2,1-3H3/b22-12+,28-24-InChIKey
RBKYZPUBBDPNBJ-IEBBLUOCSA-NSynonyms
877777-52-1(6E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2((3methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2((mtolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877777521
Cc1cccc(c1)OCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)F)C)C2=N)s1
MFCD05699798
ZINC000009293294
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