Vitas-M small molecule compound

methyl 7-chloro-5'-hydroxy-4,6-dimethoxy-4'-[4-(methoxycarbonyl)phenyl]-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate

Catalog ID
STL551498
SMILES COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1ccc(cc1)C(=O)OC

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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 C30H28ClNO9 MW 582.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClNO9/c1-13-11-17-22(26(33)30(13)27(34)23-18(37-3)12-19(38-4)24(31)25(23)41-30)21(20(14(2)32-17)29(36)40-6)15-7-9-16(10-8-15)28(35)39-5/h7-10,12-13,21,33H,11H2,1-6H3
InChIKey
QGOPIYBJTFUDAG-UHFFFAOYSA-N
Synonyms

InChI=1SC30H28ClNO9c113111722(26(33)30(13)27(34)2318(373)1219(384)24(31)25(23)4130)21(20(14(2)3217)29(36)406)157916(10815)28(35)395h71012132133H11H216H3
methyl7chloro5hydroxy46dimethoxy4(4(methoxycarbonyl)phenyl)27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31758172
ZINC000888088760
ZINC000888088763

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.