Vitas-M small molecule compound
1-{5-[(4-methylbenzyl)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
STK882460
SMILES N#Cc1cc2c(n(c1=O)c1nnc(s1)SCc1ccc(cc1)C)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 C22H14N6O2S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N6O2S2/c1-13-5-7-14(8-6-13)12-31-22-26-25-21(32-22)28-18-16(10-15(11-23)19(28)29)20(30)27-9-3-2-4-17(27)24-18/h2-10H,12H2,1H3InChIKey
DQGVRGIWEMNCRC-UHFFFAOYSA-NSynonyms
879954-14-01(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)25dioxo15dihydro2Hdipyrido(12a23d)pyrimidine3carbonitrile
1(5((4methylphenyl)methylsulfanyl)134thiadiazol2yl)25dioxodipyrido(12d34f)pyrimidine3carbonitrile
879954140
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C=C(C3=O)C#N)C(=O)N5C=CC=CC5=N4
InChI=1SC22H14N6O2S2c1135714(8613)123122262521(3222)281816(1015(1123)19(28)29)20(30)27932417(27)2418h210H12H21H3
MFCD06646197
ZINC000016806281
ZINC16806281
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