Vitas-M small molecule compound
6-(4-nitrophenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STL041427
SMILES [O-][N+](=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1
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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 C19H13N7O2S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N7O2S/c27-26(28)14-8-6-13(7-9-14)17-11-29-19-23-22-18(25(19)24-17)16-10-15(20-21-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)InChIKey
GVGKNNOXSUNIOV-UHFFFAOYSA-NSynonyms
1045799-28-7(O)(N+)(=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1(nH)nc(c1)c1ccccc1
(O)(N+)(=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1n(nH)c(c1)c1ccccc1
1045799287
6(4nitrophenyl)3(3phenyl1Hpyrazol5yl)7H(124)triazolo(34b)(134)thiadiazine
6(4nitrophenyl)3(5phenyl1Hpyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
C1C(=NN2C(=NN=C2S1)C3=CC(=NN3)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC19H13N7O2Sc2726(28)148613(7914)17112919232218(25(19)2417)161015(202116)124213512h110H11H2(H2021)
MFCD05729686
ZINC000005461632
ZINC05461632
ZINC5461632
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