Vitas-M small molecule compound
7-methyl-5-(methylsulfonyl)-N-[3-(propan-2-yloxy)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386229
SMILES CC(Oc1cccc(c1)NC(=O)C1CCN(c2c(O1)ccc(c2)C)S(=O)(=O)C)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 C21H26N2O5S MW 418.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5S/c1-14(2)27-17-7-5-6-16(13-17)22-21(24)20-10-11-23(29(4,25)26)18-12-15(3)8-9-19(18)28-20/h5-9,12-14,20H,10-11H2,1-4H3,(H,22,24)InChIKey
AELNXQUXLRBQQJ-UHFFFAOYSA-NSynonyms
7methyl5(methylsulfonyl)N(3(propan2yloxy)phenyl)2345tetrahydro15benzoxazepine2carboxamide
7methyl5methylsulfonylN(3propan2yloxyphenyl)34dihydro2H15benzoxazepine2carboxamide
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NC3=CC(=CC=C3)OC(C)C
InChI=1SC21H26N2O5Sc114(2)271775616(1317)2221(24)20101123(29(425)26)181215(3)8919(18)2820h59121420H1011H214H3(H2224)
MFCD27225341
ZINC000064988703
ZINC000064988705
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