Vitas-M small molecule compound

1-(naphthalen-1-yl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-tetrazole

Catalog ID
STK056526
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnnn1c1cccc2c1cccc2)C(F)(F)F

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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 C18H10F3N5O2S MW 417.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10F3N5O2S/c19-18(20,21)12-8-9-16(15(10-12)26(27)28)29-17-22-23-24-25(17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKey
YPPDSJSTSKMFKJ-UHFFFAOYSA-N
Synonyms
311315-76-1
(O)(N+)(=O)c1cc(ccc1Sc1nnnn1c1cccc2c1cccc2)C(F)(F)F
1(NAPHTHALEN1YL)5((2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL)1HTETRAZOLE
1(naphthalen1yl)5((2nitro4(trifluoromethyl)phenyl)thio)1Htetrazole
1NAPHTHALEN1YL5(2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYLTETRAZOLE
311315761
5((2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL)1(1NAPHTHYL)1HTETRAAZOLE
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC18H10F3N5O2Sc1918(2021)128916(15(1012)26(27)28)291722232425(17)1473511412613(11)14h110H
MFCD00716664
STK056526
ZINC000001031087
ZINC01031087
ZINC1031087

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Available files

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