Vitas-M small molecule compound
7-chloro-N-[2-(methylsulfanyl)phenyl]-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389846
SMILES CSc1ccccc1NC(=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 C18H19ClN2O4S2 MW 426.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O4S2/c1-26-17-6-4-3-5-13(17)20-18(22)16-9-10-21(27(2,23)24)14-11-12(19)7-8-15(14)25-16/h3-8,11,16H,9-10H2,1-2H3,(H,20,22)InChIKey
VUCFXSYKZVJFNC-UHFFFAOYSA-NSynonyms
7chloroN(2(methylsulfanyl)phenyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2methylsulfanylphenyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CSC1=CC=CC=C1NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC18H19ClN2O4S2c12617643513(17)2018(22)1691021(27(223)24)141112(19)7815(14)2516h381116H910H212H3(H2022)
MFCD13988562
ZINC000030938163
ZINC000030938166
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