Vitas-M small molecule compound
9-(4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217470
SMILES CSc1nc2n(n1)C(c1ccc(cc1)O)C1=C(N2)CC(CC1=O)(C)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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-18(2)8-12-14(13(24)9-18)15(10-4-6-11(23)7-5-10)22-16(19-12)20-17(21-22)25-3/h4-7,15,23H,8-9H2,1-3H3,(H,19,20,21)InChIKey
QFRKOZJMXSAPON-UHFFFAOYSA-NSynonyms
727403-34-1727403341
9(4hydroxyphenyl)66dimethyl2(methylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxyphenyl)66dimethyl2(methylthio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4hydroxyphenyl)66dimethyl2methylsulfanyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC=C(C=C4)O)C(=O)C1)C
InChI=1SC18H20N4O2Sc118(2)81214(13(24)918)15(104611(23)7510)2216(1912)2017(2122)253h471523H89H213H3(H192021)
MFCD06193210
ZINC000018219456
ZINC000018219458
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