Vitas-M small molecule compound
(6Z)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK380393
SMILES CCCc1sc2=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(cc3)C(CC)C)/C(=N)n2n1
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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/c1-4-8-26-32-34-27(30)24(28(35)31-29(34)37-26)17-21-18-33(25-10-7-6-9-23(21)25)15-16-36-22-13-11-20(12-14-22)19(3)5-2/h6-7,9-14,17-19,30H,4-5,8,15-16H2,1-3H3/b24-17-,30-27-InChIKey
WUORHIJFZYLGAK-HYVCQZIRSA-NSynonyms
(6Z)6((1(2(4(butan2yl)phenoxy)ethyl)1Hindol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2(4(secbutyl)phenoxy)ethyl)1Hindol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1sc2=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(cc3)C(CC)C)C(=N)n2n1
MFCD02188337
ZINC000004082998
ZINC000004083000
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