Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447178
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)C(C)C
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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 C13H15N3O2S MW 277.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S/c1-8(2)12-14-15-13(19)16(12)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)InChIKey
QSIRSHKUPNQEOK-UHFFFAOYSA-NSynonyms
724759-33-54(23dihydro14benzodioxin6yl)3propan2yl1H124triazole5thione
4(23dihydro14benzodioxin6yl)5(propan2yl)4H124triazole3thiol
4(23dihydrobenzo(b)(14)dioxin6yl)5isopropyl4H124triazole3thiol
724759335
CC(C)C1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3
InChI=1SC13H15N3O2Sc18(2)12141513(19)16(12)9341011(79)18651710h3478H56H212H3(H1519)
MFCD04059646
ZINC000006387351
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