Vitas-M small molecule compound
(6Z)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224233
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccccc3C)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/c1-5-18-24-26-19(22)16(20(27)23-21(26)28-18)11-15-10-13(3)25(14(15)4)17-9-7-6-8-12(17)2/h6-11,22H,5H2,1-4H3/b16-11-,22-19-InChIKey
KGCWYPHPNUFPHA-FNYIDTNGSA-NSynonyms
845663-39-0(6Z)6((25dimethyl1(2methylphenyl)1Hpyrrol3yl)methylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((25dimethyl1(otolyl)1Hpyrrol3yl)methylene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845663390
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3C)C)C2=N)s1
MFCD04168623
ZINC000005180395
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