Vitas-M small molecule compound

N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetrazol-1-yl)benzamide

Catalog ID
STK302167
SMILES OCCSc1cc(NC(=O)c2ccc(cc2)n2cnnn2)cc(c1)[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 C16H14N6O4S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O4S/c23-5-6-27-15-8-12(7-14(9-15)22(25)26)18-16(24)11-1-3-13(4-2-11)21-10-17-19-20-21/h1-4,7-10,23H,5-6H2,(H,18,24)
InChIKey
MDJKDKPBVMPUNT-UHFFFAOYSA-N
Synonyms
438232-81-6
438232816
C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCCO)(N+)(=O)(O))N3C=NN=N3
InChI=1SC16H14N6O4Sc23562715812(714(915)22(25)26)1816(24)111313(4211)211017192021h1471023H56H2(H1824)
MFCD03467400
N(3((2HYDROXYETHYL)SULFANYL)5NITROPHENYL)4(1HTETRAAZOL1YL)BENZAMIDE
N(3((2hydroxyethyl)sulfanyl)5nitrophenyl)4(1Htetrazol1yl)benzamide
N(3(2HYDROXYETHYLSULFANYL)5NITROPHENYL)4(TETRAZOL1YL)BENZAMIDE
OCCSc1cc(NC(=O)c2ccc(cc2)n2cnnn2)cc(c1)(N+)(=O)(O)
ZINC000002771982
ZINC02771982
ZINC2771982

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Available files

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