Vitas-M small molecule compound
(6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712855
SMILES Clc1cccc(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 C26H28ClN5OS MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5OS/c1-16-13-19(17(2)31(16)21-10-6-9-20(27)15-21)14-22-24(28)32-26(29-25(22)33)34-23(30-32)12-11-18-7-4-3-5-8-18/h6,9-10,13-15,18,28H,3-5,7-8,11-12H2,1-2H3/b22-14+,28-24-InChIKey
PZTMIMSJDDSCDW-VPEHMGNRSA-NSynonyms
844835-17-2(6E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2cyclohexylethyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2(2cyclohexylethyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844835172
Clc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD04163905
ZINC000009280975
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