Vitas-M small molecule compound
(6E)-6-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK033205
SMILES COc1cc(/C=C\2/C(=O)N=c3n(C2=N)nc(s3)C2CCCCC2)cc(c1OCCOc1ccccc1Cl)OC
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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 C28H29ClN4O5S MW 569.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O5S/c1-35-22-15-17(16-23(36-2)24(22)38-13-12-37-21-11-7-6-10-20(21)29)14-19-25(30)33-28(31-26(19)34)39-27(32-33)18-8-4-3-5-9-18/h6-7,10-11,14-16,18,30H,3-5,8-9,12-13H2,1-2H3/b19-14+,30-25-InChIKey
UJKTWWYMMJYLRW-IIDAWVDVSA-NSynonyms
(6E)6(4(2(2chlorophenoxy)ethoxy)35dimethoxybenzylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(C=C2C(=O)N=c3n(C2=N)nc(s3)C2CCCCC2)cc(c1OCCOc1ccccc1Cl)OC
MFCD05978464
STK033205
ZINC000097958185
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