Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(3-chloro-4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK407150
SMILES CCSCCOC(=O)C1=C(C)Nc2n(C1c1ccc(c(c1)Cl)OC)ncn2
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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 C18H21ClN4O3S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O3S/c1-4-27-8-7-26-17(24)15-11(2)22-18-20-10-21-23(18)16(15)12-5-6-14(25-3)13(19)9-12/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,20,21,22)InChIKey
XHIKUKDLACREAS-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(3chloro4methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2ETHYLSULFANYLETHYL7(3CHLORO4METHOXYPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
2ETHYLTHIOETHYL7(3CHLORO4METHOXYPHENYL)5METHYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
CCSCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=C(C=C3)OC)Cl)C
InChI=1SC18H21ClN4O3Sc1427872617(24)1511(2)221820102123(18)16(15)125614(253)13(19)912h5691016H478H213H3(H202122)
MFCD07402576
ZINC000004987288
ZINC000004987289
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