Vitas-M small molecule compound
1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Catalog ID
STK882459
SMILES N#Cc1cc2c(n(c1=O)c1nnc(s1)SCc1ccc(cc1)F)nc1n(c2=O)cccc1
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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 C21H11FN6O2S2 MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11FN6O2S2/c22-14-6-4-12(5-7-14)11-31-21-26-25-20(32-21)28-17-15(9-13(10-23)18(28)29)19(30)27-8-2-1-3-16(27)24-17/h1-9H,11H2InChIKey
DMYLZIOWDWPFNW-UHFFFAOYSA-NSynonyms
879954-06-01(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)25dioxo15dihydro2Hdipyrido(12a23d)pyrimidine3carbonitrile
1(5((4fluorophenyl)methylsulfanyl)134thiadiazol2yl)25dioxodipyrido(12d34f)pyrimidine3carbonitrile
879954060
C1=CC2=NC3=C(C=C(C(=O)N3C4=NN=C(S4)SCC5=CC=C(C=C5)F)C#N)C(=O)N2C=C1
InChI=1SC21H11FN6O2S2c22146412(5714)113121262520(3221)281715(913(1023)18(28)29)19(30)27821316(27)2417h19H11H2
MFCD06646196
ZINC000008611543
ZINC8611543
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