Vitas-M small molecule compound
(2Z)-8-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-methylbenzylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
Catalog ID
STL099443
SMILES O=C1/C(=C/c2ccccc2C)/Oc2c1ccc1c2CN(CO1)C1CCS(=O)(=O)C1
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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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-14-4-2-3-5-15(14)10-20-21(24)17-6-7-19-18(22(17)28-20)11-23(13-27-19)16-8-9-29(25,26)12-16/h2-7,10,16H,8-9,11-13H2,1H3/b20-10-InChIKey
ATUAOKHXHXXBEH-JMIUGGIZSA-NSynonyms
946293-74-9(2Z)8(11dioxidotetrahydrothiophen3yl)2(2methylbenzylidene)89dihydro7Hfuro(23f)(13)benzoxazin3(2H)one
(2Z)8(11dioxothiolan3yl)2((2methylphenyl)methylidene)79dihydrofuro(23f)(13)benzoxazin3one
946293749
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C4=C(C=C3)OCN(C4)C5CCS(=O)(=O)C5
InChI=1SC22H21NO5Sc114423515(14)102021(24)17671918(22(17)2820)1123(132719)168929(2526)1216h271016H891113H21H3b2010
MFCD09986365
O=C1C(=Cc2ccccc2C)Oc2c1ccc1c2CN(CO1)C1CCS(=O)(=O)C1
ZINC000012442597
ZINC000012442599
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