Vitas-M small molecule compound

4-({4-methyl-5-[(3-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)morpholine

Catalog ID
STK319339
SMILES Cn1c(nnc1CN1CCOCC1)SCc1cccc(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 C15H19N5O3S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N5O3S/c1-18-14(10-19-5-7-23-8-6-19)16-17-15(18)24-11-12-3-2-4-13(9-12)20(21)22/h2-4,9H,5-8,10-11H2,1H3
InChIKey
VDLABLNXXJKTTF-UHFFFAOYSA-N
Synonyms

4((4methyl5((3nitrobenzyl)sulfanyl)4H124triazol3yl)methyl)morpholine
4((4methyl5((3nitrophenyl)methylsulfanyl)124triazol3yl)methyl)morpholine
CN1C(=NN=C1SCC2=CC(=CC=C2)(N+)(=O)(O))CN3CCOCC3
Cn1c(nnc1CN1CCOCC1)SCc1cccc(c1)(N+)(=O)(O)
InChI=1SC15H19N5O3Sc11814(101957238619)161715(18)24111232413(912)20(21)22h249H581011H21H3
MFCD04338577
ZINC000012650968
ZINC12650968

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Available files

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