Vitas-M small molecule compound
(6E)-2-(2-cyclohexylethyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712839
SMILES COc1ccc(cc1)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 C27H31N5O2S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2S/c1-17-15-20(18(2)31(17)21-10-12-22(34-3)13-11-21)16-23-25(28)32-27(29-26(23)33)35-24(30-32)14-9-19-7-5-4-6-8-19/h10-13,15-16,19,28H,4-9,14H2,1-3H3/b23-16+,28-25-InChIKey
NPQFHYMJNCXAEO-RRSDJOIDSA-NSynonyms
862210-64-8(6E)2(2cyclohexylethyl)5imino6((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(2cyclohexylethyl)5imino6((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862210648
COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05697891
ZINC000009292170
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