Vitas-M small molecule compound
(6E)-5-imino-6-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK532163
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3cc(C)ccc3C(C)C)/C2=N)s1
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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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-5-8-26-32-34-27(30)23(28(35)31-29(34)37-26)16-20-17-33(24-10-7-6-9-22(20)24)13-14-36-25-15-19(4)11-12-21(25)18(2)3/h6-7,9-12,15-18,30H,5,8,13-14H2,1-4H3/b23-16+,30-27-InChIKey
YLJFUASSCTVUTM-LECYMVQRSA-NSynonyms
(6E)5imino6((1(2(5methyl2(propan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2(2isopropyl5methylphenoxy)ethyl)1Hindol3yl)methylene)2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3cc(C)ccc3C(C)C)C2=N)s1
MFCD02118542
ZINC000009007917
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