Vitas-M small molecule compound
1-{5-[(2-chlorobenzyl)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
STK516455
SMILES N#Cc1cc2c(n(c1=O)c1nnc(s1)SCc1ccccc1Cl)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 C21H11ClN6O2S2 MW 478.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11ClN6O2S2/c22-15-6-2-1-5-12(15)11-31-21-26-25-20(32-21)28-17-14(9-13(10-23)18(28)29)19(30)27-8-4-3-7-16(27)24-17/h1-9H,11H2InChIKey
WAGOPOCQLFFGIC-UHFFFAOYSA-NSynonyms
879948-05-71(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)25dioxo15dihydro2Hdipyrido(12a23d)pyrimidine3carbonitrile
1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)25dioxodipyrido(12d34f)pyrimidine3carbonitrile
879948057
C1=CC=C(C(=C1)CSC2=NN=C(S2)N3C4=C(C=C(C3=O)C#N)C(=O)N5C=CC=CC5=N4)Cl
InChI=1SC21H11ClN6O2S2c2215621512(15)113121262520(3221)281714(913(1023)18(28)29)19(30)27843716(27)2417h19H11H2
MFCD06645658
ZINC000008611521
ZINC8611521
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