Vitas-M small molecule compound
methyl 4'-(3-bromophenyl)-7-chloro-5'-hydroxy-4,6-dimethoxy-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate
Catalog ID
STL549473
SMILES COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1cccc(c1)Br
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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 C28H25BrClNO7 MW 602.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrClNO7/c1-12-9-16-21(20(14-7-6-8-15(29)10-14)19(13(2)31-16)27(34)37-5)25(32)28(12)26(33)22-17(35-3)11-18(36-4)23(30)24(22)38-28/h6-8,10-12,20,32H,9H2,1-5H3InChIKey
QSMRBPGSBKBADN-UHFFFAOYSA-NSynonyms
InChI=1SC28H25BrClNO7c11291621(20(1476815(29)1014)19(13(2)3116)27(34)375)25(32)28(12)26(33)2217(353)1118(364)23(30)24(22)3828h6810122032H9H215H3
methyl4(3bromophenyl)7chloro5hydroxy46dimethoxy27dimethyl3oxo78dihydro3H4Hspiro(1benzofuran26quinoline)3carboxylate
MFCD31757008
ZINC000888089601
ZINC000888089604
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.