Vitas-M small molecule compound
(6E)-2-heptyl-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK004964
SMILES CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3cccc(c3)OC)/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 C30H33N5O3S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O3S/c1-3-4-5-6-7-15-27-33-35-28(31)25(29(36)32-30(35)39-27)18-21-20-34(26-14-9-8-13-24(21)26)16-17-38-23-12-10-11-22(19-23)37-2/h8-14,18-20,31H,3-7,15-17H2,1-2H3/b25-18+,31-28-InChIKey
GKOXJMFSLOBFQN-CCUSICOQSA-NSynonyms
(6E)2heptyl5imino6((1(2(3methoxyphenoxy)ethyl)1Hindol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)CCOc3cccc(c3)OC)C2=N)s1
MFCD02118788
STK004964
ZINC000097957784
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