Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-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
STK882475
SMILES N#Cc1cc2c(n(c1=O)c1nnc(s1)SCc1ccccc1)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 C22H14N6O2S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N6O2S2/c1-13-7-8-17-24-18-16(20(30)27(17)11-13)9-15(10-23)19(29)28(18)21-25-26-22(32-21)31-12-14-5-3-2-4-6-14/h2-9,11H,12H2,1H3InChIKey
LRCXXLBCMVDLMA-UHFFFAOYSA-NSynonyms
879955-24-51(5(benzylsulfanyl)134thiadiazol2yl)8methyl25dioxo15dihydro2Hdipyrido(12a23d)pyrimidine3carbonitrile
1(5benzylsulfanyl134thiadiazol2yl)8methyl25dioxodipyrido(12e43f)pyrimidine3carbonitrile
879955245
CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3C4=NN=C(S4)SCC5=CC=CC=C5)C#N)C=C1
InChI=1SC22H14N6O2S2c1137817241816(20(30)27(17)1113)915(1023)19(29)28(18)21252622(3221)3112145324614h2911H12H21H3
MFCD06646201
ZINC000008611546
ZINC08611546
ZINC8611546
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