Vitas-M small molecule compound
(6Z)-3-(benzylsulfanyl)-6-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3,5-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Catalog ID
STK021421
SMILES CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2)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 C33H34N4O5S2 MW 630.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O5S2/c1-5-21(2)24-11-13-25(14-12-24)41-15-16-42-29-27(39-3)18-23(19-28(29)40-4)17-26-30(34)37-32(35-31(26)38)44-36-33(37)43-20-22-9-7-6-8-10-22/h6-14,17-19,21,34H,5,15-16,20H2,1-4H3/b26-17-,34-30-InChIKey
LQUFPXXTMKEAML-YCOXGURASA-NSynonyms
(6Z)3(benzylsulfanyl)6(4(2(4(butan2yl)phenoxy)ethoxy)35dimethoxybenzylidene)5imino56dihydro7H(124)thiadiazolo(45a)pyrimidin7one
CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2)C
MFCD08049869
STK021421
ZINC000097958034
ZINC000097958035
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