Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-({[4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL386796
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1Oc2ccccc2N(C1)S(=O)(=O)C)OC
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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 C20H22N2O8S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O8S/c1-27-16-9-12(20(24)29-3)13(10-17(16)28-2)21-19(23)18-11-22(31(4,25)26)14-7-5-6-8-15(14)30-18/h5-10,18H,11H2,1-4H3,(H,21,23)InChIKey
NYQFVUOCLBTASQ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC
InChI=1SC20H22N2O8Sc12716912(20(24)293)13(1017(16)282)2119(23)181122(31(425)26)14756815(14)3018h51018H11H214H3(H2123)
methyl45dimethoxy2(((4(methylsulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
methyl45dimethoxy2((4methylsulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
MFCD27217299
ZINC000019934756
ZINC000019934758
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