Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-tetrazole

Catalog ID
STL389032
SMILES FC(c1cccc(c1)CSc1nnnn1c1ccc2c(c1)OCO2)(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 C16H11F3N4O2S MW 380.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F3N4O2S/c17-16(18,19)11-3-1-2-10(6-11)8-26-15-20-21-22-23(15)12-4-5-13-14(7-12)25-9-24-13/h1-7H,8-9H2
InChIKey
AFUMGMHZSZZWHL-UHFFFAOYSA-N
Synonyms

1(13benzodioxol5yl)5((3(trifluoromethyl)benzyl)sulfanyl)1Htetrazole
1(13BENZODIOXOL5YL)5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)TETRAZOLE
C1OC2=C(O1)C=C(C=C2)N3C(=NN=N3)SCC4=CC(=CC=C4)C(F)(F)F
InChI=1SC16H11F3N4O2Sc1716(1819)1131210(611)8261520212223(15)12451314(712)2592413h17H89H2
MFCD03724040
ZINC000001101511
ZINC1101511

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Available files

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