Vitas-M small molecule compound
(6Z)-2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224883
SMILES Fc1cccc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
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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 C25H20FN5OS2 MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN5OS2/c1-15-11-18(16(2)30(15)20-10-6-9-19(26)13-20)12-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-7-4-3-5-8-17/h3-13,27H,14H2,1-2H3/b21-12-,27-22-InChIKey
YJJXLQPWCZYJKY-WHIRQMQFSA-NSynonyms
(6Z)2(benzylsulfanyl)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2(benzylthio)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Fc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
MFCD24857934
ZINC000041076722
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