Vitas-M small molecule compound
(6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224237
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3)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 C21H21N5OS MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS/c1-4-8-18-24-26-19(22)17(20(27)23-21(26)28-18)12-15-11-13(2)25(14(15)3)16-9-6-5-7-10-16/h5-7,9-12,22H,4,8H2,1-3H3/b17-12+,22-19-InChIKey
QHGPVUGFTDWFRX-USEUXELZSA-NSynonyms
848671-51-2(6E)6((25dimethyl1phenyl1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1phenyl1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848671512
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3)C)C2=N)s1
MFCD04190601
ZINC000005219368
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