Vitas-M small molecule compound
2-(methylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210393
SMILES CSc1nc2n(n1)C(c1cccc(c1)[N+](=O)[O-])C1=C(N2)CCCC1=O
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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 C16H15N5O3S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O3S/c1-25-16-18-15-17-11-6-3-7-12(22)13(11)14(20(15)19-16)9-4-2-5-10(8-9)21(23)24/h2,4-5,8,14H,3,6-7H2,1H3,(H,17,18,19)InChIKey
ZZWVKJAQWWDWKH-UHFFFAOYSA-NSynonyms
727395-26-82(methylsulfanyl)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(methylthio)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2methylsulfanyl9(3nitrophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727395268
CSC1=NC2=NC3=C(C(N2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CCC3
CSc1nc2n(n1)C(c1cccc(c1)(N+)(=O)(O))C1=C(N2)CCCC1=O
InChI=1SC16H15N5O3Sc125161815171163712(22)13(11)14(20(15)1916)942510(89)21(23)24h245814H367H21H3(H171819)
MFCD06193003
ZINC000001070849
ZINC000001070852
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