Vitas-M small molecule compound
6,6-dimethyl-2-(methylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK217474
SMILES CSc1nc2n(n1)C(c1cccc(c1)[N+](=O)[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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c1-18(2)8-12-14(13(24)9-18)15(10-5-4-6-11(7-10)23(25)26)22-16(19-12)20-17(21-22)27-3/h4-7,15H,8-9H2,1-3H3,(H,19,20,21)InChIKey
QVCNHDLCRGUFFA-UHFFFAOYSA-NSynonyms
727403-46-566dimethyl2(methylsulfanyl)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2(methylthio)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2methylsulfanyl9(3nitrophenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
727403465
CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1)C
CSc1nc2n(n1)C(c1cccc(c1)(N+)(=O)(O))C1=C(N2)CC(CC1=O)(C)C
InChI=1SC18H19N5O3Sc118(2)81214(13(24)918)15(1054611(710)23(25)26)2216(1912)2017(2122)273h4715H89H213H3(H192021)
MFCD06193222
ZINC000018219468
ZINC000018219470
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