Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386185
SMILES COc1ccc(cc1NC(=O)C1CCN(c2c(O1)ccc(c2)C)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 C19H21ClN2O5S MW 424.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O5S/c1-12-4-6-17-15(10-12)22(28(3,24)25)9-8-18(27-17)19(23)21-14-11-13(20)5-7-16(14)26-2/h4-7,10-11,18H,8-9H2,1-3H3,(H,21,23)InChIKey
FPLFETZLRRBHNH-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=C(C=CC(=C3)Cl)OC
InChI=1SC19H21ClN2O5Sc112461715(1012)22(28(324)25)9818(2717)19(23)21141113(20)5716(14)262h47101118H89H213H3(H2123)
MFCD27225298
N(5chloro2methoxyphenyl)7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(5chloro2methoxyphenyl)7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000064988566
ZINC000064988567
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