Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-({[5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)benzoate
Catalog ID
STL389881
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1CCN(c2c(O1)cccc2)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 C21H24N2O8S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O8S/c1-28-18-11-13(21(25)30-3)14(12-19(18)29-2)22-20(24)17-9-10-23(32(4,26)27)15-7-5-6-8-16(15)31-17/h5-8,11-12,17H,9-10H2,1-4H3,(H,22,24)InChIKey
ASCOAKYTXGVQCY-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC
InChI=1SC21H24N2O8Sc128181113(21(25)303)14(1219(18)292)2220(24)1791023(32(426)27)15756816(15)3117h58111217H910H214H3(H2224)
methyl45dimethoxy2(((5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)benzoate
methyl45dimethoxy2((5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)benzoate
MFCD13989715
ZINC000030943129
ZINC000030943132
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