Vitas-M small molecule compound

N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide

Catalog ID
STK387228
SMILES O=C(Nc1nnc(s1)SCc1ccc(cc1)F)CSc1nnnn1C

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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 C13H12FN7OS3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12FN7OS3/c1-21-12(17-19-20-21)23-7-10(22)15-11-16-18-13(25-11)24-6-8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,16,22)
InChIKey
DQJATVXKQVLVOX-UHFFFAOYSA-N
Synonyms

CN1C(=NN=N1)SCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F
InChI=1SC13H12FN7OS3c12112(17192021)23710(22)1511161813(2511)2468249(14)538h25H67H21H3(H151622)
MFCD11853426
N(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)2((1methyl1Htetrazol5yl)sulfanyl)acetamide
N(5((4fluorophenyl)methylsulfanyl)134thiadiazol2yl)2(1methyltetrazol5yl)sulfanylacetamide
ZINC000009026409
ZINC09026409
ZINC9026409

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Available files

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