Vitas-M small molecule compound

2-nitro-4-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]phenol

Catalog ID
STL037864
SMILES [O-][N+](=O)c1cc(CSc2n[nH]cn2)ccc1O

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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 C9H8N4O3S MW 252.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N4O3S/c14-8-2-1-6(3-7(8)13(15)16)4-17-9-10-5-11-12-9/h1-3,5,14H,4H2,(H,10,11,12)
InChIKey
CXXAUUSUQKWGLH-UHFFFAOYSA-N
Synonyms
333405-19-9
(O)(N+)(=O)c1cc(CSc2n(nH)cn2)ccc1O
(O)(N+)(=O)c1cc(CSc2nnc(nH)2)ccc1O
2nitro4((1H124triazol3ylsulfanyl)methyl)phenol
2NITRO4(1H124TRIAZOL5YLSULFANYLMETHYL)PHENOL
2NITRO4(4H(124)TRIAZOL3YLSULFANYLMETHYL)PHENOL
333405199
4(((4H124triazol3yl)thio)methyl)2nitrophenol
C1=CC(=C(C=C1CSC2=NC=NN2)(N+)(=O)(O))O
InChI=1SC9H8N4O3Sc148216(37(8)13(15)16)417910511129h13514H4H2(H101112)
MFCD03793440
ZINC000018130294
ZINC18130294

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.