Vitas-M small molecule compound
(6Z)-6-({1-[2-(4-cyclohexylphenoxy)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
STK006360
SMILES CCCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(cc3)C3CCCCC3)/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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-2-8-28-34-36-29(32)26(30(37)33-31(36)39-28)19-23-20-35(27-12-7-6-11-25(23)27)17-18-38-24-15-13-22(14-16-24)21-9-4-3-5-10-21/h6-7,11-16,19-21,32H,2-5,8-10,17-18H2,1H3/b26-19-,32-29-InChIKey
SVSUDFCFUZEPFL-JKXFGAJGSA-NSynonyms
(6Z)6((1(2(4cyclohexylphenoxy)ethyl)1Hindol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3ccc(cc3)C3CCCCC3)C2=N)s1
MFCD02955441
STK006360
ZINC000008450612
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