Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[2-(naphthalen-1-ylsulfanyl)ethoxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK010795
SMILES CCOc1cc(ccc1OCCSc1cccc2c1cccc2)/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 C28H26N4O3S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S2/c1-3-25-31-32-26(29)21(27(33)30-28(32)37-25)16-18-12-13-22(23(17-18)34-4-2)35-14-15-36-24-11-7-9-19-8-5-6-10-20(19)24/h5-13,16-17,29H,3-4,14-15H2,1-2H3/b21-16-,29-26-InChIKey
JCTYCSGVOKNRIS-XXDXIKNJSA-NSynonyms
(6Z)6(3ethoxy4(2(naphthalen1ylsulfanyl)ethoxy)benzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCSc1cccc2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02109885
STK010795
ZINC000033353794
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