Vitas-M small molecule compound
ethyl 9-methyl-2-(4-nitro-1H-pyrazol-3-yl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL390513
SMILES CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1n[nH]cc1[N+](=O)[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 C14H11N7O4S MW 373.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N7O4S/c1-3-25-14(22)10-6(2)8-12-17-11(9-7(21(23)24)4-16-18-9)19-20(12)5-15-13(8)26-10/h4-5H,3H2,1-2H3,(H,16,18)InChIKey
SKTCUWDJILPVFK-UHFFFAOYSA-NSynonyms
1005585-16-91005585169
CCOC(=O)C1=C(C2=C(S1)N=CN3C2=NC(=N3)C4=C(C=NN4)(N+)(=O)(O))C
CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1n(nH)cc1(N+)(=O)(O)
ethyl9methyl2(4nitro1Hpyrazol3yl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
InChI=1SC14H11N7O4Sc132514(22)106(2)8121711(97(21(23)24)416189)1920(12)51513(8)2610h45H3H212H3(H1618)
MFCD04051340
ZINC000017076410
ZINC17076410
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