Vitas-M small molecule compound
(6E)-6-({1-[2-(4-chloro-3-methylphenoxy)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
STK097975
SMILES CCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccc(c(c3)C)Cl)/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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-3-22-29-31-23(27)19(24(32)28-25(31)34-22)13-16-14-30(21-7-5-4-6-18(16)21)10-11-33-17-8-9-20(26)15(2)12-17/h4-9,12-14,27H,3,10-11H2,1-2H3/b19-13+,27-23-InChIKey
GTDOCJVAJPKGTD-BNXHHIAKSA-NSynonyms
(6E)6((1(2(4chloro3methylphenoxy)ethyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(c(c3)C)Cl)C2=N)s1
MFCD08672685
STK097975
ZINC000009730816
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