Vitas-M small molecule compound
(6Z)-2-cyclohexyl-6-{[1-(2-ethoxyphenyl)-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
STL224769
SMILES CCOc1ccccc1n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C26H29N5O2S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O2S/c1-4-33-22-13-9-8-12-21(22)30-16(2)14-19(17(30)3)15-20-23(27)31-26(28-24(20)32)34-25(29-31)18-10-6-5-7-11-18/h8-9,12-15,18,27H,4-7,10-11H2,1-3H3/b20-15-,27-23-InChIKey
KTQQLZYIINYDFT-HKCIXWONSA-NSynonyms
(6Z)2cyclohexyl6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2cyclohexyl6((1(2ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD24857887
ZINC000041076339
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