Vitas-M small molecule compound
(6E)-2-benzyl-6-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3,5-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK043079
SMILES CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1)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 C33H34N4O5S MW 598.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O5S/c1-5-21(2)24-11-13-25(14-12-24)41-15-16-42-30-27(39-3)18-23(19-28(30)40-4)17-26-31(34)37-33(35-32(26)38)43-29(36-37)20-22-9-7-6-8-10-22/h6-14,17-19,21,34H,5,15-16,20H2,1-4H3/b26-17+,34-31-InChIKey
JXGHCFNWMSOQJE-YOOYIYPFSA-NSynonyms
(6E)2benzyl6(4(2(4(butan2yl)phenoxy)ethoxy)35dimethoxybenzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1)C
MFCD05978378
STK043079
ZINC000097958577
ZINC000097958578
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