Vitas-M small molecule compound
methyl 2-({[7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)-4,5-dimethoxybenzoate
Catalog ID
STL389882
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)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 C21H23ClN2O8S MW 498.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O8S/c1-29-18-10-13(21(26)31-3)14(11-19(18)30-2)23-20(25)17-7-8-24(33(4,27)28)15-9-12(22)5-6-16(15)32-17/h5-6,9-11,17H,7-8H2,1-4H3,(H,23,25)InChIKey
AXKFBKBIJZNLIV-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC
InChI=1SC21H23ClN2O8Sc129181013(21(26)313)14(1119(18)302)2320(25)177824(33(427)28)15912(22)5616(15)3217h5691117H78H214H3(H2325)
methyl2(((7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)45dimethoxybenzoate
methyl2((7chloro5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)45dimethoxybenzoate
MFCD13989716
ZINC000030943134
ZINC000030943137
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