Vitas-M small molecule compound
9-(6-nitro-1,3-benzodioxol-5-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK333502
SMILES O=C1CCCC2=C1C(c1cc3OCOc3cc1[N+](=O)[O-])n1c(N2)ncn1
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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 C16H13N5O5 MW 355.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O5/c22-11-3-1-2-9-14(11)15(20-16(19-9)17-6-18-20)8-4-12-13(26-7-25-12)5-10(8)21(23)24/h4-6,15H,1-3,7H2,(H,17,18,19)InChIKey
XWLDINGFGWJKCI-UHFFFAOYSA-NSynonyms
9(6nitro13benzodioxol5yl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(6nitro13benzodioxol5yl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=CN3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)C1
InChI=1SC16H13N5O5c2211312914(11)15(2016(199)1761820)841213(2672512)510(8)21(23)24h4615H137H2(H171819)
MFCD09963109
O=C1CCCC2=C1C(c1cc3OCOc3cc1(N+)(=O)(O))n1c(N2)ncn1
ZINC000012348863
ZINC000012348869
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