Vitas-M small molecule compound
(6E)-6-{[1-(2,3-dimethylphenyl)-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
STL224941
SMILES Cc1cccc(c1)OCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)C)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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-16-8-6-10-22(12-16)35-15-25-31-33-26(29)23(27(34)30-28(33)36-25)14-21-13-18(3)32(20(21)5)24-11-7-9-17(2)19(24)4/h6-14,29H,15H2,1-5H3/b23-14+,29-26-InChIKey
VXQIKYLVKCIKKJ-YHSWEDCKSA-NSynonyms
877804-11-0(6E)6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2((3methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2((mtolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877804110
Cc1cccc(c1)OCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)C)C)C2=N)s1
MFCD05704638
ZINC000009293596
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