Vitas-M small molecule compound
(6Z)-6-[(1-{2-[2-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK084913
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccccc3C(CC)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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-4-18(3)20-10-7-9-13-24(20)35-15-14-32-17-19(21-11-6-8-12-23(21)32)16-22-26(29)33-28(30-27(22)34)36-25(5-2)31-33/h6-13,16-18,29H,4-5,14-15H2,1-3H3/b22-16-,29-26-InChIKey
BALBTGVDMXUTDN-ICDYSHIQSA-NSynonyms
(6Z)6((1(2(2(butan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2(2(secbutyl)phenoxy)ethyl)1Hindol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccccc3C(CC)C)C2=N)s1
MFCD02643052
STK084913
ZINC000013893784
ZINC000013893787
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