Vitas-M small molecule compound
methyl 4-chloro-3-({[4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL386756
SMILES COC(=O)c1ccc(c(c1)NC(=O)C1Oc2ccccc2N(C1)S(=O)(=O)C)Cl
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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 C18H17ClN2O6S MW 424.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O6S/c1-26-18(23)11-7-8-12(19)13(9-11)20-17(22)16-10-21(28(2,24)25)14-5-3-4-6-15(14)27-16/h3-9,16H,10H2,1-2H3,(H,20,22)InChIKey
LLHRFHLTMMDBOL-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C
InChI=1SC18H17ClN2O6Sc12618(23)117812(19)13(911)2017(22)161021(28(224)25)14534615(14)2716h3916H10H212H3(H2022)
methyl4chloro3(((4(methylsulfonyl)34dihydro2H14benzoxazin2yl)carbonyl)amino)benzoate
methyl4chloro3((4methylsulfonyl23dihydro14benzoxazine2carbonyl)amino)benzoate
MFCD13893445
ZINC000020035919
ZINC000020035921
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