Vitas-M small molecule compound
3-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL550835
SMILES COc1cc2nc(CSCCN3C(=O)C(C(=O)N)C4CC3(C)Oc3c4cccc3)nc(c2cc1OC)O
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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 C26H28N4O6S MW 524.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6S/c1-26-12-16(14-6-4-5-7-18(14)36-26)22(23(27)31)25(33)30(26)8-9-37-13-21-28-17-11-20(35-3)19(34-2)10-15(17)24(32)29-21/h4-7,10-11,16,22H,8-9,12-13H2,1-3H3,(H2,27,31)(H,28,29,32)InChIKey
GGCFJSXNNLTTQL-UHFFFAOYSA-NSynonyms
10(2((67dimethoxy4oxo3~(H)quinazolin2yl)methylsulfanyl)ethyl)9methyl11oxo8oxa10azatricyclo(7310^(27))trideca246triene12carboxamide
135639925
3(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
InChI=1SC26H28N4O6Sc1261216(14645718(14)3626)22(23(27)31)25(33)30(26)8937132128171120(353)19(342)1015(17)24(32)2921h4710111622H891213H213H3(H22731)(H282932)
MFCD31757799
ZINC000524731656
ZINC000524731657
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