Vitas-M small molecule compound
(6Z)-6-({1-[2-(3-ethyl-5-methylphenoxy)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
STK027979
SMILES CCCc1sc2=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3cc(C)cc(c3)CC)/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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-4-8-25-31-33-26(29)23(27(34)30-28(33)36-25)16-20-17-32(24-10-7-6-9-22(20)24)11-12-35-21-14-18(3)13-19(5-2)15-21/h6-7,9-10,13-17,29H,4-5,8,11-12H2,1-3H3/b23-16-,29-26-InChIKey
UEXHPCZGEUAOJV-LEPGYMSLSA-NSynonyms
(6Z)6((1(2(3ethyl5methylphenoxy)ethyl)1Hindol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCc1sc2=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3cc(C)cc(c3)CC)C(=N)n2n1
MFCD02955434
STK027979
ZINC000008450593
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