Vitas-M small molecule compound
6-benzyl-2-[(4-chlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Catalog ID
STK250961
SMILES Clc1ccc(cc1)CSc1nn2c(n1)[nH]c(c(c2=O)Cc1ccccc1)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 C20H17ClN4OS MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4OS/c1-13-17(11-14-5-3-2-4-6-14)18(26)25-19(22-13)23-20(24-25)27-12-15-7-9-16(21)10-8-15/h2-10H,11-12H2,1H3,(H,22,23,24)InChIKey
YXXLFNJTCSTBDX-UHFFFAOYSA-NSynonyms
898912-53-32((4CHLOROPHENYL)METHYLTHIO)5METHYL6BENZYL48DIHYDRO124TRIAZOLO(15A)PYRIMIDIN7ONE
6benzyl2((4chlorobenzyl)sulfanyl)5methyl(124)triazolo(15a)pyrimidin7(4H)one
6benzyl2((4chlorobenzyl)thio)5methyl(124)triazolo(15a)pyrimidin7(4H)one
6benzyl2((4chlorophenyl)methylsulfanyl)5methyl1H(124)triazolo(15a)pyrimidin7one
898912533
CC1=C(C(=O)N2C(=N1)N=C(N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4
Clc1ccc(cc1)CSc1nn2c(n1)(nH)c(c(c2=O)Cc1ccccc1)C
InChI=1SC20H17ClN4OSc11317(11145324614)18(26)2519(2213)2320(2425)2712157916(21)10815h210H1112H21H3(H222324)
MFCD07637943
ZINC000100133790
ZINC100133790
ZINC18029815
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