Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK335803
SMILES Sc1nnc(n1c1ccc2c(c1)OCO2)c1cccs1
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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 C13H9N3O2S2 MW 303.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N3O2S2/c19-13-15-14-12(11-2-1-5-20-11)16(13)8-3-4-9-10(6-8)18-7-17-9/h1-6H,7H2,(H,15,19)InChIKey
KEZDDOLAZFVMGO-UHFFFAOYSA-NSynonyms
451501-85-24(13BENZODIOXOL5YL)3THIOPHEN2YL1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(thiophen2yl)4H124triazole3thiol
4(benzo(d)(13)dioxol5yl)5(thiophen2yl)4H124triazole3thiol
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC=CS4
InChI=1SC13H9N3O2S2c1913151412(112152011)16(13)834910(68)187179h16H7H2(H1519)
MFCD06015832
ZINC5555921
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