Vitas-M small molecule compound
(3E)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STK999393
SMILES CCOc1ccc(cc1)C(=O)/C=c\1/[nH]c2cc(ccc2oc1=O)S(=O)(=O)CC
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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 C20H19NO6S MW 401.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO6S/c1-3-26-14-7-5-13(6-8-14)18(22)12-17-20(23)27-19-10-9-15(11-16(19)21-17)28(24,25)4-2/h5-12,21H,3-4H2,1-2H3/b17-12+InChIKey
SQKHTYPFRPQLGR-SFQUDFHCSA-NSynonyms
(3E)3(2(4ethoxyphenyl)2oxoethylidene)6(ethylsulfonyl)34dihydro2H14benzoxazin2one
(3E)3(2(4ETHOXYPHENYL)2OXOETHYLIDENE)6ETHYLSULFONYL4H14BENZOXAZIN2ONE
(E)3(2(4ethoxyphenyl)2oxoethylidene)6(ethylsulfonyl)34dihydro2Hbenzo(b)(14)oxazin2one
CCOC1=CC=C(C=C1)C(=O)C=C2C(=O)OC3=C(N2)C=C(C=C3)S(=O)(=O)CC
CCOc1ccc(cc1)C(=O)C=c1(nH)c2cc(ccc2oc1=O)S(=O)(=O)CC
InChI=1SC20H19NO6Sc1326147513(6814)18(22)121720(23)271910915(1116(19)2117)28(2425)42h51221H34H212H3b1712+
MFCD03302680
ZINC000100820594
ZINC100820594
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