Vitas-M small molecule compound
ethyl 2-amino-1'-(4-fluorobenzyl)-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Catalog ID
STK907035
SMILES CCOC(=O)C1=C(N)OC2=C(C31c1ccccc1N(C3=O)Cc1ccc(cc1)F)C(=O)CC(C2)(C)C
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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 C28H27FN2O5 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O5/c1-4-35-25(33)23-24(30)36-21-14-27(2,3)13-20(32)22(21)28(23)18-7-5-6-8-19(18)31(26(28)34)15-16-9-11-17(29)12-10-16/h5-12H,4,13-15,30H2,1-3H3InChIKey
BRNZSWPAUVZXEK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)F)C(=O)CC(C2)(C)C)N
ethyl2amino1((4fluorophenyl)methyl)77dimethyl25dioxospiro(68dihydrochromene43indole)3carboxylate
ethyl2amino1(4fluorobenzyl)77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
InChI=1SC28H27FN2O5c143525(33)2324(30)36211427(23)1320(32)22(21)28(23)18756819(18)31(26(28)34)151691117(29)121016h512H4131530H213H3
MFCD18076416
ZINC000027023134
ZINC000027023138
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