Vitas-M small molecule compound
[7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL389698
SMILES Clc1ccc2c(c1)N(CCC(O2)C(=O)N1CCc2c(C1)cccc2)S(=O)(=O)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 C20H21ClN2O4S MW 420.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O4S/c1-28(25,26)23-11-9-19(27-18-7-6-16(21)12-17(18)23)20(24)22-10-8-14-4-2-3-5-15(14)13-22/h2-7,12,19H,8-11,13H2,1H3InChIKey
JGQQVUCGVUEDFB-UHFFFAOYSA-NSynonyms
(7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepin2yl)(34dihydroisoquinolin2(1H)yl)methanone
(7chloro5methylsulfonyl34dihydro2H15benzoxazepin2yl)(34dihydro1Hisoquinolin2yl)methanone
CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC20H21ClN2O4Sc128(2526)2311919(27187616(21)1217(18)23)20(24)2210814423515(14)1322h271219H81113H21H3
MFCD13984065
ZINC000038835955
ZINC000038835958
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