Vitas-M small molecule compound
5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891256
SMILES C=CCn1c(S)nnc1C1COc2c(O1)cccc2
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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 C13H13N3O2S MW 275.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O2S/c1-2-7-16-12(14-15-13(16)19)11-8-17-9-5-3-4-6-10(9)18-11/h2-6,11H,1,7-8H2,(H,15,19)InChIKey
UXWIWMSECBUGBZ-UHFFFAOYSA-NSynonyms
556018-63-43(23DIHYDRO14BENZODIOXIN3YL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(23DIHYDROBENZO(14)DIOXIN2YL)4H(124)TRIAZOLE3THIOL
5(23dihydro14benzodioxin2yl)4(prop2en1yl)4H124triazole3thiol
556018634
C=CCN1C(=NNC1=S)C2COC3=CC=CC=C3O2
InChI=1SC13H13N3O2Sc1271612(141513(16)19)118179534610(9)1811h2611H178H2(H1519)
MFCD04612083
ZINC000006293530
ZINC000006293531
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