Vitas-M small molecule compound
(6Z)-6-(4-{2-[2-(butan-2-yl)phenoxy]ethoxy}-3-methoxybenzylidene)-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK558090
SMILES COc1cc(ccc1OCCOc1ccccc1C(CC)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
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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 C29H28N4O4S2 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S2/c1-4-18(2)20-8-5-6-9-22(20)36-13-14-37-23-12-11-19(17-24(23)35-3)16-21-26(30)33-29(31-27(21)34)39-28(32-33)25-10-7-15-38-25/h5-12,15-18,30H,4,13-14H2,1-3H3/b21-16-,30-26-InChIKey
ZHNZKIUUOQDZPM-OKJNCEMASA-NSynonyms
(6Z)6(4(2(2(butan2yl)phenoxy)ethoxy)3methoxybenzylidene)5imino2(thiophen2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(2(secbutyl)phenoxy)ethoxy)3methoxybenzylidene)5imino2(thiophen2yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCOc1ccccc1C(CC)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccs1
MFCD04030020
ZINC000001897938
ZINC000097964906
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