Vitas-M small molecule compound
(6Z)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224330
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-5-19-25-27-20(23)18(21(28)24-22(27)30-19)12-15-11-13(3)26(14(15)4)16-7-9-17(10-8-16)29-6-2/h7-12,23H,5-6H2,1-4H3/b18-12-,23-20-InChIKey
PNFXCLWQNNRJQQ-AWDJCAROSA-NSynonyms
(6Z)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD24857730
ZINC000034697592
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