Vitas-M small molecule compound
(6E)-2-(4-chlorobenzyl)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225077
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(cc1)Cl
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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 C26H22ClN5OS MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS/c1-15-4-10-21(11-5-15)31-16(2)12-19(17(31)3)14-22-24(28)32-26(29-25(22)33)34-23(30-32)13-18-6-8-20(27)9-7-18/h4-12,14,28H,13H2,1-3H3/b22-14+,28-24-InChIKey
GLGGIETUSVUFCP-VPEHMGNRSA-NSynonyms
844653-26-5(6E)2(4chlorobenzyl)6((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(4chlorobenzyl)6((25dimethyl1(ptolyl)1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844653265
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccc(cc1)Cl
MFCD04158661
ZINC000009193086
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