Vitas-M small molecule compound
(6Z)-6-(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK828159
SMILES CCOc1cc(ccc1OCCOc1ccccc1CC=C)/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 C28H30N4O4S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S/c1-4-9-20-11-7-8-12-22(20)35-15-16-36-23-14-13-19(18-24(23)34-6-3)17-21-26(29)32-28(30-27(21)33)37-25(31-32)10-5-2/h4,7-8,11-14,17-18,29H,1,5-6,9-10,15-16H2,2-3H3/b21-17-,29-26-InChIKey
JKOKECSQYZOKJM-HEVHYJMMSA-NSynonyms
(6Z)6(3ethoxy4(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(2allylphenoxy)ethoxy)3ethoxybenzylidene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(ccc1OCCOc1ccccc1CC=C)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC
MFCD02118574
ZINC000008836909
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