Vitas-M small molecule compound
(6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224356
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)Cc3ccccc3)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 C21H21N5OS2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS2/c1-4-28-21-24-26-18(22)17(19(27)23-20(26)29-21)11-16-10-13(2)25(14(16)3)12-15-8-6-5-7-9-15/h5-11,22H,4,12H2,1-3H3/b17-11+,22-18-InChIKey
WLMORDWSPGRJHC-OTTXTMNCSA-NSynonyms
849007-17-6(6E)6((1benzyl25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1benzyl25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849007176
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)Cc3ccccc3)C)C2=N)s1
MFCD05680378
ZINC000009235688
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