Vitas-M small molecule compound
diethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dimethyl-6-oxo-2,6-dihydrocyclohepta[c]pyrrole-5,7-dicarboxylate
Catalog ID
STK317858
SMILES CCOC(=O)c1ccc(cc1)n1c(C)c2c(c1C)cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC
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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 C26H27NO7 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO7/c1-6-32-24(29)17-9-11-18(12-10-17)27-15(4)19-13-21(25(30)33-7-2)23(28)22(26(31)34-8-3)14-20(19)16(27)5/h9-14H,6-8H2,1-5H3InChIKey
SUSWZQDHINYHQX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C3C=C(C(=O)C(=CC3=C2C)C(=O)OCC)C(=O)OCC)C
diethyl2(4(ethoxycarbonyl)phenyl)13dimethyl6oxo26dihydrocyclohepta(c)pyrrole57dicarboxylate
diethyl2(4ethoxycarbonylphenyl)13dimethyl6oxocyclohepta(c)pyrrole57dicarboxylate
ETHYL4(57BIS(ETHOXYCARBONYL)13DIMETHYL6OXOCYCLOHEPTA(12C)PYRROL2YL)BENZOATE
InChI=1SC26H27NO7c163224(29)1791118(121017)2715(4)191321(25(30)3372)23(28)22(26(31)3483)1420(19)16(27)5h914H68H215H3
MFCD09763531
ZINC000012249916
ZINC12249916
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