Vitas-M small molecule compound
3-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL550313
SMILES OCCSCCN1C(=O)C(C(=O)N)C2CC1(C)Oc1c2cccc1
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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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-17-10-12(11-4-2-3-5-13(11)23-17)14(15(18)21)16(22)19(17)6-8-24-9-7-20/h2-5,12,14,20H,6-10H2,1H3,(H2,18,21)InChIKey
SHZWPUQXQLHBGQ-UHFFFAOYSA-NSynonyms
10(2(2hydroxyethylsulfanyl)ethyl)9methyl11oxo8oxa10azatricyclo(7310^(27))trideca246triene12carboxamide
129895687
3(2((2hydroxyethyl)sulfanyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(2((2hydroxyethyl)thio)ethyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
InChI=1SC17H22N2O4Sc1171012(11423513(11)2317)14(15(18)21)16(22)19(17)68249720h25121420H610H21H3(H21821)
MFCD31757515
ZINC000524731996
ZINC000524731997
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