Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712762
SMILES Cc1ccc(c(c1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1)C
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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 C27H25N5OS2 MW 499.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS2/c1-16-10-11-17(2)23(12-16)31-18(3)13-21(19(31)4)14-22-24(28)32-26(29-25(22)33)35-27(30-32)34-15-20-8-6-5-7-9-20/h5-14,28H,15H2,1-4H3/b22-14-,28-24-InChIKey
PXQJTGUUKMYALT-JKNGSGMMSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(25dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(benzylthio)6((1(25dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1ccc(c(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1)C
MFCD13371489
ZINC000036082015
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