Vitas-M small molecule compound

7-chloro-N-{2-[(2-methylbenzyl)sulfanyl]ethyl}-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide

Catalog ID
STL389779
SMILES O=C(C1CCN(c2c(O1)ccc(c2)Cl)S(=O)(=O)C)NCCSCc1ccccc1C

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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 C21H25ClN2O4S2 MW 469.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S2/c1-15-5-3-4-6-16(15)14-29-12-10-23-21(25)20-9-11-24(30(2,26)27)18-13-17(22)7-8-19(18)28-20/h3-8,13,20H,9-12,14H2,1-2H3,(H,23,25)
InChIKey
WNNWRHUYRYBYDV-UHFFFAOYSA-N
Synonyms

7chloroN(2((2methylbenzyl)sulfanyl)ethyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2((2methylphenyl)methylsulfanyl)ethyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=CC=CC=C1CSCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC21H25ClN2O4S2c115534616(15)142912102321(25)2091124(30(226)27)181317(22)7819(18)2820h381320H91214H212H3(H2325)
MFCD13986544
ZINC000038853097
ZINC000038853101

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Available files

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