Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK017307
SMILES CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)/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 C28H32N4O4S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S/c1-6-19-12-18(5)13-21(14-19)35-10-11-36-23-9-8-20(16-24(23)34-7-2)15-22-25(29)32-28(30-26(22)33)37-27(31-32)17(3)4/h8-9,12-17,29H,6-7,10-11H2,1-5H3/b22-15-,29-25-InChIKey
AEJZGWZACQALRA-RORORGNRSA-NSynonyms
(6Z)6(3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)benzylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCOc1cc(C)cc(c1)CC)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD02118593
STK017307
ZINC000013940213
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