Vitas-M small molecule compound
7-chloro-N-{2-[(3-methylbenzyl)sulfanyl]ethyl}-5-(methylsulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Catalog ID
STL389767
SMILES Clc1ccc2c(c1)N(CCC(O2)C(=O)NCCSCc1cccc(c1)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 C21H25ClN2O4S2 MW 469.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4S2/c1-15-4-3-5-16(12-15)14-29-11-9-23-21(25)20-8-10-24(30(2,26)27)18-13-17(22)6-7-19(18)28-20/h3-7,12-13,20H,8-11,14H2,1-2H3,(H,23,25)InChIKey
MOIBHJQWAOPSBF-UHFFFAOYSA-NSynonyms
7chloroN(2((3methylbenzyl)sulfanyl)ethyl)5(methylsulfonyl)2345tetrahydro15benzoxazepine2carboxamide
7chloroN(2((3methylphenyl)methylsulfanyl)ethyl)5methylsulfonyl34dihydro2H15benzoxazepine2carboxamide
CC1=CC(=CC=C1)CSCCNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C
InChI=1SC21H25ClN2O4S2c11543516(1215)14291192321(25)2081024(30(226)27)181317(22)6719(18)2820h37121320H81114H212H3(H2325)
MFCD13986125
ZINC000044786508
ZINC000044786509
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