Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-5-methyl-6-(2-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Catalog ID
STK250963
SMILES Clc1ccc(cc1)CSc1nn2c(n1)[nH]c(c(c2=O)Cc1ccccc1C)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 C21H19ClN4OS MW 410.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4OS/c1-13-5-3-4-6-16(13)11-18-14(2)23-20-24-21(25-26(20)19(18)27)28-12-15-7-9-17(22)10-8-15/h3-10H,11-12H2,1-2H3,(H,23,24,25)InChIKey
HNCOPZLWUMGPQS-UHFFFAOYSA-NSynonyms
898921-67-02((4chlorobenzyl)sulfanyl)5methyl6(2methylbenzyl)(124)triazolo(15a)pyrimidin7(4H)one
2((4chlorobenzyl)thio)5methyl6(2methylbenzyl)(124)triazolo(15a)pyrimidin7(4H)one
2((4chlorophenyl)methylsulfanyl)5methyl6((2methylphenyl)methyl)1H(124)triazolo(15a)pyrimidin7one
2((4CHLOROPHENYL)METHYLTHIO)5METHYL6((2METHYLPHENYL)METHYL)48DIHYDRO124TRIAZOLO(15A)PYRIMIDIN7ONE
898921670
CC1=CC=CC=C1CC2=C(N=C3N=C(NN3C2=O)SCC4=CC=C(C=C4)Cl)C
Clc1ccc(cc1)CSc1nn2c(n1)(nH)c(c(c2=O)Cc1ccccc1C)C
InChI=1SC21H19ClN4OSc113534616(13)111814(2)23202421(2526(20)19(18)27)2812157917(22)10815h310H1112H212H3(H232425)
MFCD07638290
ZINC000100133801
ZINC100133801
ZINC18029818
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