Vitas-M small molecule compound
N-[2-(benzylsulfanyl)ethyl]-7-chloro-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389702
SMILES O=C(C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)NCCSCc1ccccc1
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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 C20H23ClN2O4S2 MW 455.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O4S2/c1-29(25,26)23-11-9-19(27-18-8-7-16(21)13-17(18)23)20(24)22-10-12-28-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)InChIKey
GNWDOQKIXNVPPN-UHFFFAOYSA-NSynonyms
CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3
InChI=1SC20H23ClN2O4S2c129(2526)2311919(27188716(21)1317(18)23)20(24)2210122814155324615h281319H91214H21H3(H2224)
MFCD13984330
N(2(benzylsulfanyl)ethyl)7chloro5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(2benzylsulfanylethyl)7chloro5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000038837143
ZINC000038837147
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