Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK014833
SMILES CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CCC
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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 C28H32N4O4S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S/c1-5-8-25-31-32-26(29)22(27(33)30-28(32)37-25)16-20-9-10-23(24(17-20)34-7-3)36-12-11-35-21-14-18(4)13-19(6-2)15-21/h9-10,13-17,29H,5-8,11-12H2,1-4H3/b22-16-,29-26-InChIKey
NJNRPCHVXUEBJB-ICDYSHIQSA-NSynonyms
(6Z)6(3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)benzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)benzylidene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC
MFCD02118589
STK014833
ZINC000009232565
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