Vitas-M small molecule compound
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-7-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL386175
SMILES Clc1ccc(cc1)SCCNC(=O)C1CCN(c2c(O1)ccc(c2)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 C20H23ClN2O4S2 MW 455.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O4S2/c1-14-3-8-18-17(13-14)23(29(2,25)26)11-9-19(27-18)20(24)22-10-12-28-16-6-4-15(21)5-7-16/h3-8,13,19H,9-12H2,1-2H3,(H,22,24)InChIKey
XWOKVQUGQMFYRD-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC(CCN2S(=O)(=O)C)C(=O)NCCSC3=CC=C(C=C3)Cl
InChI=1SC20H23ClN2O4S2c114381817(1314)23(29(225)26)11919(2718)20(24)22101228166415(21)5716h381319H912H212H3(H2224)
MFCD27225288
N(2((4chlorophenyl)sulfanyl)ethyl)7methyl5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
N(2(4chlorophenyl)sulfanylethyl)7methyl5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
ZINC000064988541
ZINC000064988542
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