Vitas-M small molecule compound
(6Z)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK003074
SMILES Fc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C21H20FN5OS MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5OS/c1-11(2)20-25-27-18(23)17(19(28)24-21(27)29-20)10-14-9-12(3)26(13(14)4)16-7-5-15(22)6-8-16/h5-11,23H,1-4H3/b17-10-,23-18-InChIKey
IGYRHCDSWPUHCP-HRTHMMBSSA-NSynonyms
(6Z)6((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
Fc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD09959900
STK003074
ZINC000012285154
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