Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-5-imino-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK554858
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cccn1CCOc1ccc(cc1)C(C)C)SCc1ccccc1
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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 C28H27N5O2S2 MW 529.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S2/c1-19(2)21-10-12-23(13-11-21)35-16-15-32-14-6-9-22(32)17-24-25(29)33-27(30-26(24)34)37-28(31-33)36-18-20-7-4-3-5-8-20/h3-14,17,19,29H,15-16,18H2,1-2H3/b24-17-,29-25-InChIKey
ZFYLNDWDNUNYIZ-BMLDQOIQSA-NSynonyms
840482-95-3(6Z)2(benzylsulfanyl)5imino6((1(2(4(propan2yl)phenoxy)ethyl)1Hpyrrol2yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)2(benzylthio)5imino6((1(2(4isopropylphenoxy)ethyl)1Hpyrrol2yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
840482953
MFCD04007117
O=C1N=c2sc(nn2C(=N)C1=Cc1cccn1CCOc1ccc(cc1)C(C)C)SCc1ccccc1
ZINC000004715977
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