Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)ethanone
Catalog ID
STL287959
SMILES O=C(c1ccc2c(c1)OCO2)CSc1cnn[nH]1
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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 C11H9N3O3S MW 263.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N3O3S/c15-8(5-18-11-4-12-14-13-11)7-1-2-9-10(3-7)17-6-16-9/h1-4H,5-6H2,(H,12,13,14)InChIKey
LWXURVIUGOUNCF-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2(1H123triazol5ylsulfanyl)ethanone
1(13benzodioxol5yl)2(2Htriazol4ylsulfanyl)ethanone
C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NNN=C3
InChI=1SC11H9N3O3Sc158(51811412141311)712910(37)176169h14H56H2(H121314)
MFCD24851166
O=C(c1ccc2c(c1)OCO2)CSc1cnn(nH)1
ZINC000095482002
ZINC95482002
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