Vitas-M small molecule compound
(6Z)-2-(2-chlorophenyl)-6-(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK083094
SMILES CCOc1cc(ccc1OCCOc1ccccc1CC=C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
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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 C31H27ClN4O4S MW 587.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O4S/c1-3-9-21-10-5-8-13-25(21)39-16-17-40-26-15-14-20(19-27(26)38-4-2)18-23-28(33)36-31(34-29(23)37)41-30(35-36)22-11-6-7-12-24(22)32/h3,5-8,10-15,18-19,33H,1,4,9,16-17H2,2H3/b23-18-,33-28-InChIKey
VAOHJVALNVOWLE-BMGALWMXSA-NSynonyms
(6Z)2(2chlorophenyl)6(3ethoxy4(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCOc1ccccc1CC=C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl
MFCD03234904
STK083094
ZINC000008494602
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