Vitas-M small molecule compound
7-chloro-N-[2-methyl-6-(propan-2-yl)phenyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389837
SMILES Clc1ccc2c(c1)N(CCC(O2)C(=O)Nc1c(C)cccc1C(C)C)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 C21H25ClN2O4S MW 436.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S/c1-13(2)16-7-5-6-14(3)20(16)23-21(25)19-10-11-24(29(4,26)27)17-12-15(22)8-9-18(17)28-19/h5-9,12-13,19H,10-11H2,1-4H3,(H,23,25)InChIKey
PXZJUIYBBVRHER-UHFFFAOYSA-NSynonyms
7chloroN(2methyl6(propan2yl)phenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2methyl6propan2ylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC21H25ClN2O4Sc113(2)1675614(3)20(16)2321(25)19101124(29(426)27)171215(22)8918(17)2819h59121319H1011H214H3(H2325)
MFCD13988323
ZINC000044790271
ZINC000044790275
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