Vitas-M small molecule compound
6,6-dimethyl-2-(methylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK211065
SMILES CSc1nn2c(n1)NC1=C(C2c2ccccc2[N+](=O)[O-])C(=O)CC(C1)(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)8-11-14(13(24)9-18)15(10-6-4-5-7-12(10)23(25)26)22-16(19-11)20-17(21-22)27-3/h4-7,15H,8-9H2,1-3H3,(H,19,20,21)InChIKey
VRVAPVCXDIPDCB-UHFFFAOYSA-NSynonyms
698374-30-066dimethyl2(methylsulfanyl)9(2nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2(methylthio)9(2nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
66dimethyl2methylsulfanyl9(2nitrophenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
698374300
CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC=CC=C4(N+)(=O)(O))C(=O)C1)C
CSc1nn2c(n1)NC1=C(C2c2ccccc2(N+)(=O)(O))C(=O)CC(C1)(C)C
InChI=1SC18H19N5O3Sc118(2)81114(13(24)918)15(10645712(10)23(25)26)2216(1911)2017(2122)273h4715H89H213H3(H192021)
MFCD05033214
ZINC000009058843
ZINC000017028787
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