Vitas-M small molecule compound
(2Z)-2-(3-chlorobenzylidene)-8-(1,1-dioxidotetrahydrothiophen-3-yl)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
Catalog ID
STL099438
SMILES Clc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc1c2CN(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 C21H18ClNO5S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S/c22-14-3-1-2-13(8-14)9-19-20(24)16-4-5-18-17(21(16)28-19)10-23(12-27-18)15-6-7-29(25,26)11-15/h1-5,8-9,15H,6-7,10-12H2/b19-9-InChIKey
VZVWMKWZYWCYCF-OCKHKDLRSA-NSynonyms
946385-37-1(2Z)2((3chlorophenyl)methylidene)8(11dioxothiolan3yl)79dihydrofuro(23f)(13)benzoxazin3one
(2Z)2(3chlorobenzylidene)8(11dioxidotetrahydrothiophen3yl)89dihydro7Hfuro(23f)(13)benzoxazin3(2H)one
946385371
C1CS(=O)(=O)CC1N2CC3=C(C=CC4=C3OC(=CC5=CC(=CC=C5)Cl)C4=O)OC2
Clc1cccc(c1)C=C1Oc2c(C1=O)ccc1c2CN(CO1)C1CCS(=O)(=O)C1
InChI=1SC21H18ClNO5Sc221431213(814)91920(24)16451817(21(16)2819)1023(122718)156729(2526)1115h158915H671012H2b199
MFCD09986363
ZINC000012442592
ZINC000012442594
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