Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(3-methylbenzyl)-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
STK106552
SMILES CCc1nn2c(=NC(=O)/C(=C/c3c(C)n(c4c3cc(C)cc4)Cc3cccc(c3)C)/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 C26H25N5OS MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS/c1-5-23-29-31-24(27)21(25(32)28-26(31)33-23)13-19-17(4)30(14-18-8-6-7-15(2)11-18)22-10-9-16(3)12-20(19)22/h6-13,27H,5,14H2,1-4H3/b21-13+,27-24-InChIKey
JSXMSVIDJRRVIG-CIFGJUBISA-NSynonyms
(6E)6((25dimethyl1(3methylbenzyl)1Hindol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1nn2c(=NC(=O)C(=Cc3c(C)n(c4c3cc(C)cc4)Cc3cccc(c3)C)C2=N)s1
MFCD08672900
ZINC000009763739
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