Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK018946
SMILES CCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCCOc3ccc(cc3)C3CCCCC3)/C(=N)n2n1
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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 C29H31ClN4O4S MW 567.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN4O4S/c1-3-25-33-34-27(31)22(28(35)32-29(34)39-25)15-18-16-23(30)26(24(17-18)36-2)38-14-13-37-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,15-17,19,31H,3-8,13-14H2,1-2H3/b22-15-,31-27-InChIKey
NFXPSEIJDAZPBT-DRVDVIDUSA-NSynonyms
(6Z)6(3chloro4(2(4cyclohexylphenoxy)ethoxy)5methoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1sc2=NC(=O)C(=Cc3cc(Cl)c(c(c3)OC)OCCOc3ccc(cc3)C3CCCCC3)C(=N)n2n1
MFCD08049762
STK018946
ZINC000097958003
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