Vitas-M small molecule compound
(6Z)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK828151
SMILES COc1cc(ccc1OCCOc1ccc(c(c1)C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-15(2)25-29-30-23(27)20(24(31)28-26(30)35-25)13-18-7-9-21(22(14-18)32-5)34-11-10-33-19-8-6-16(3)17(4)12-19/h6-9,12-15,27H,10-11H2,1-5H3/b20-13-,27-23-InChIKey
DPZIZCJGFFWULB-SLIQITBESA-NSynonyms
(6Z)6(4(2(34dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(34dimethylphenoxy)ethoxy)3methoxybenzylidene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCOc1ccc(c(c1)C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD02118385
ZINC000009435992
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