Vitas-M small molecule compound
1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Catalog ID
STK882474
SMILES N#Cc1cc2c(n(c1=O)c1nnc(s1)SCc1ccc(cc1)Cl)nc1n(c2=O)cc(cc1)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 C22H13ClN6O2S2 MW 492.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN6O2S2/c1-12-2-7-17-25-18-16(20(31)28(17)10-12)8-14(9-24)19(30)29(18)21-26-27-22(33-21)32-11-13-3-5-15(23)6-4-13/h2-8,10H,11H2,1H3InChIKey
DZCBYDUMSNJBOK-UHFFFAOYSA-NSynonyms
879955-08-51(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)8methyl25dioxo15dihydro2Hdipyrido(12a23d)pyrimidine3carbonitrile
1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)8methyl25dioxodipyrido(12e43f)pyrimidine3carbonitrile
879955085
CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3C4=NN=C(S4)SCC5=CC=C(C=C5)Cl)C#N)C=C1
InChI=1SC22H13ClN6O2S2c1122717251816(20(31)28(17)1012)814(924)19(30)29(18)21262722(3321)3211133515(23)6413h2810H11H21H3
MFCD06646200
ZINC000016742644
ZINC16742644
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