Vitas-M small molecule compound
7-chloro-N-[2-(4-methoxyphenyl)ethyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389719
SMILES COc1ccc(cc1)CCNC(=O)C1CCN(c2c(O1)ccc(c2)Cl)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 C20H23ClN2O5S MW 438.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5S/c1-27-16-6-3-14(4-7-16)9-11-22-20(24)19-10-12-23(29(2,25)26)17-13-15(21)5-8-18(17)28-19/h3-8,13,19H,9-12H2,1-2H3,(H,22,24)InChIKey
VAVSMDIPHIXYRF-UHFFFAOYSA-NSynonyms
7chloroN(2(4methoxyphenyl)ethyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2(4methoxyphenyl)ethyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
COC1=CC=C(C=C1)CCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC20H23ClN2O5Sc127166314(4716)9112220(24)19101223(29(225)26)171315(21)5818(17)2819h381319H912H212H3(H2224)
MFCD13984745
ZINC000038848965
ZINC000038848966
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