Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK028360
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
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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 C26H32ClNO6 MW 490.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO6/c1-5-32-20-10-15(9-17(27)24(20)30)22-21(25(31)34-13-16-7-6-8-33-16)14(2)28-18-11-26(3,4)12-19(29)23(18)22/h9-10,16,22,28,30H,5-8,11-13H2,1-4H3InChIKey
OXXOALLMTDZTMY-UHFFFAOYSA-NSynonyms
312597-42-5312597425
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
InChI=1SC26H32ClNO6c1532201015(917(27)24(20)30)2221(25(31)3413167683316)14(2)28181126(34)1219(29)23(18)22h91016222830H581113H214H3
MFCD01824456
oxolan2ylmethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK028360
tetrahydrofuran2ylmethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000009113402
ZINC000009113406
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