Vitas-M small molecule compound
4-ethoxy-N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitrobenzamide
Catalog ID
STK344477
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)c1sc2n(n1)c(nn2)CC
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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 C20H18N6O4S MW 438.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O4S/c1-3-17-22-23-20-25(17)24-19(31-20)12-5-8-14(9-6-12)21-18(27)13-7-10-16(30-4-2)15(11-13)26(28)29/h5-11H,3-4H2,1-2H3,(H,21,27)InChIKey
FPXPSFBWIBYODY-UHFFFAOYSA-NSynonyms
4ethoxyN(4(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)3nitrobenzamide
CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1)c1sc2n(n1)c(nn2)CC
InChI=1SC20H18N6O4Sc131722232025(17)2419(3120)125814(9612)2118(27)1371016(3042)15(1113)26(28)29h511H34H212H3(H2127)
MFCD05808212
ZINC000002865866
ZINC02865866
ZINC2865866
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