Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK686206
SMILES Sc1nnc(n1c1ccc2c(c1)OCO2)c1[nH]nc(c1)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 C16H11N5O2S2 MW 369.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N5O2S2/c24-16-20-19-15(11-7-10(17-18-11)14-2-1-5-25-14)21(16)9-3-4-12-13(6-9)23-8-22-12/h1-7H,8H2,(H,17,18)(H,20,24)InChIKey
GTVUKHPCSODEIA-UHFFFAOYSA-NSynonyms
4(13BENZODIOXOL5YL)3(5THIOPHEN2YL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(3(thiophen2yl)1Hpyrazol5yl)4H124triazole3thiol
4(13BENZODIOXOL5YL)5(5(THIOPHEN2YL)1HPYRAZOL3YL)24DIHYDRO3H124TRIAZOLE3THIONE
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=C4)C5=CC=CS5
InChI=1SC16H11N5O2S2c2416201915(11710(171811)142152514)21(16)9341213(69)2382212h17H8H2(H1718)(H2024)
MFCD06015171
Sc1nnc(n1c1ccc2c(c1)OCO2)c1(nH)nc(c1)c1cccs1
ZINC000005790567
ZINC5790567
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