Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK622997
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1[nH]nc(c1)C1CC1
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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 C15H13N5O2S MW 327.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O2S/c23-15-19-18-14(11-6-10(16-17-11)8-1-2-8)20(15)9-3-4-12-13(5-9)22-7-21-12/h3-6,8H,1-2,7H2,(H,16,17)(H,19,23)InChIKey
LCEHGHOOYVBORD-UHFFFAOYSA-NSynonyms
1031389-10-21031389102
4(13BENZODIOXOL5YL)3(5CYCLOPROPYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(3cyclopropyl1Hpyrazol5yl)24dihydro3H124triazole3thione
C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC5=C(C=C4)OCO5
InChI=1SC15H13N5O2Sc2315191814(11610(161711)8128)20(15)9341213(59)2272112h368H127H2(H1617)(H1923)
MFCD09793610
S=c1(nH)nc(n1c1ccc2c(c1)OCO2)c1(nH)nc(c1)C1CC1
ZINC000004632417
ZINC4632417
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