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-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK041113
SMILES Cc1ccc(c(c1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(C)C)C(C)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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-17(2)21-11-10-19(5)14-25(21)36-13-12-33-16-20(22-8-6-7-9-24(22)33)15-23-26(30)34-29(31-27(23)35)37-28(32-34)18(3)4/h6-11,14-18,30H,12-13H2,1-5H3/b23-15+,30-26+InChIKey
MHEKMZPFPMHIAE-XQRPCZOOSA-NSynonyms
(6E)5imino6((1(2(5methyl2(propan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino2isopropyl6((1(2(2isopropyl5methylphenoxy)ethyl)1Hindol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Cc1ccc(c(c1)OCCn1cc(c2c1cccc2)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C)C(C)C
MFCD02118546
STK041113
ZINC000009246792
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