Vitas-M small molecule compound
(6E)-2-(2-cyclohexylethyl)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712820
SMILES Cc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
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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 C27H31N5OS MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5OS/c1-17-8-7-11-22(14-17)31-18(2)15-21(19(31)3)16-23-25(28)32-27(29-26(23)33)34-24(30-32)13-12-20-9-5-4-6-10-20/h7-8,11,14-16,20,28H,4-6,9-10,12-13H2,1-3H3/b23-16+,28-25-InChIKey
JYEGTJVCAWHJOC-RRSDJOIDSA-NSynonyms
877779-52-7(6E)2(2cyclohexylethyl)6((25dimethyl1(3methylphenyl)1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)6((25dimethyl1(mtolyl)1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877779527
Cc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05700110
ZINC000009293312
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