Vitas-M small molecule compound
6-(4-nitrophenyl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STL050857
SMILES [O-][N+](=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2
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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 C16H13N7O2S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N7O2S/c24-23(25)10-6-4-9(5-7-10)13-8-26-16-20-19-15(22(16)21-13)14-11-2-1-3-12(11)17-18-14/h4-7H,1-3,8H2,(H,17,18)InChIKey
YFHPUVKLNNIWNG-UHFFFAOYSA-NSynonyms
862193-24-6(O)(N+)(=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1(nH)nc2c1CCC2
(O)(N+)(=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1n(nH)c2c1CCC2
6(4nitrophenyl)3(1456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
6(4nitrophenyl)3(2456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
862193246
C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(CS4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC16H13N7O2Sc2423(25)10649(5710)1382616201915(22(16)2113)141121312(11)171814h47H138H2(H1718)
MFCD05730943
ZINC000017246607
ZINC17246607
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