Vitas-M small molecule compound
[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl](thiomorpholin-4-yl)methanone
Catalog ID
STL408290
SMILES O=C(c1n[nH]c(c1)c1ccc2c(c1)CCO2)N1CCSCC1
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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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c20-16(19-4-7-22-8-5-19)14-10-13(17-18-14)11-1-2-15-12(9-11)3-6-21-15/h1-2,9-10H,3-8H2,(H,17,18)InChIKey
KEAGHPPKNRTKBD-UHFFFAOYSA-NSynonyms
1489256-08-7(3(23dihydro1benzofuran5yl)1Hpyrazol5yl)thiomorpholin4ylmethanone
(3(23dihydrobenzofuran5yl)1Hpyrazol5yl)(thiomorpholino)methanone
(5(23dihydro1benzofuran5yl)1Hpyrazol3yl)(thiomorpholin4yl)methanone
1489256087
C1COC2=C1C=C(C=C2)C3=NNC(=C3)C(=O)N4CCSCC4
InChI=1SC16H17N3O2Sc2016(1947228519)141013(171814)11121512(911)362115h12910H38H2(H1718)
MFCD27963012
O=C(c1(nH)nc(c1)c1ccc2c(c1)CCO2)N1CCSCC1
O=C(c1n(nH)c(c1)c1ccc2c(c1)CCO2)N1CCSCC1
ZINC000096118344
ZINC96118344
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