Vitas-M small molecule compound
4-{5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzamide
Catalog ID
STL336493
SMILES COc1ccc(cc1[N+](=O)[O-])CSc1nnnn1c1ccc(cc1)C(=O)N
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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 C16H14N6O4S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O4S/c1-26-14-7-2-10(8-13(14)22(24)25)9-27-16-18-19-20-21(16)12-5-3-11(4-6-12)15(17)23/h2-8H,9H2,1H3,(H2,17,23)InChIKey
WALYYPKPSHUTKW-UHFFFAOYSA-NSynonyms
346465-07-4346465074
4(5((4methoxy3nitrobenzyl)sulfanyl)1Htetrazol1yl)benzamide
4(5((4methoxy3nitrobenzyl)thio)1Htetrazol1yl)benzamide
4(5((4METHOXY3NITROPHENYL)METHYLSULFANYL)TETRAZOL1YL)BENZAMIDE
COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CSc1nnnn1c1ccc(cc1)C(=O)N
InChI=1SC16H14N6O4Sc126147210(813(14)22(24)25)9271618192021(16)125311(4612)15(17)23h28H9H21H3(H21723)
MFCD01580949
ZINC000002996421
ZINC02996421
ZINC2996421
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