Vitas-M small molecule compound
(6Z)-2-ethyl-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224271
SMILES CCc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3cccc(c3)OC)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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-5-18-24-26-19(22)17(20(27)23-21(26)29-18)10-14-9-12(2)25(13(14)3)15-7-6-8-16(11-15)28-4/h6-11,22H,5H2,1-4H3/b17-10-,22-19-InChIKey
CXDMXYUQMZAFTO-HQYQRZIKSA-NSynonyms
(6Z)2ethyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2ethyl5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)OC)C)C2=N)s1
MFCD24857710
ZINC000006569691
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