Vitas-M small molecule compound
methyl 3-({[7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl]carbonyl}amino)-4-methylbenzoate
Catalog ID
STL389771
SMILES COC(=O)c1ccc(c(c1)NC(=O)C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)C
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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 C20H21ClN2O6S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O6S/c1-12-4-5-13(20(25)28-2)10-15(12)22-19(24)18-8-9-23(30(3,26)27)16-11-14(21)6-7-17(16)29-18/h4-7,10-11,18H,8-9H2,1-3H3,(H,22,24)InChIKey
UQSRZJPYRIUIBZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC20H21ClN2O6Sc1124513(20(25)282)1015(12)2219(24)188923(30(326)27)161114(21)6717(16)2918h47101118H89H213H3(H2224)
methyl3(((7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)carbonyl)amino)4methylbenzoate
methyl3((7chloro5methylsulfonyl34dihydro2H15benzoxazepine2carbonyl)amino)4methylbenzoate
MFCD13986205
ZINC000038851917
ZINC000038851919
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