Vitas-M small molecule compound
methyl 12-(1,3-benzodioxol-5-yl)-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthroline-10-carboxylate
Catalog ID
STK690197
SMILES COC(=O)C1C(=O)C2=C(CC1(C)C)Nc1c(C2c2ccc3c(c2)OCO3)c2cccnc2cc1
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-27(2)12-18-23(25(30)24(27)26(31)32-3)21(14-6-9-19-20(11-14)34-13-33-19)22-15-5-4-10-28-16(15)7-8-17(22)29-18/h4-11,21,24,29H,12-13H2,1-3H3InChIKey
YVHOLQZICOWOJO-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=CC6=C(C=C5)OCO6)C(=O)C1C(=O)OC)C
InChI=1SC27H24N2O5c127(2)121823(25(30)24(27)26(31)323)21(14691920(1114)34133319)221554102816(15)7817(22)2918h411212429H1213H213H3
methyl12(13benzodioxol5yl)99dimethyl11oxo781012tetrahydrobenzo(b)(47)phenanthroline10carboxylate
methyl12(13benzodioxol5yl)99dimethyl11oxo789101112hexahydrobenzo(b)(47)phenanthroline10carboxylate
MFCD09063317
ZINC000012402407
ZINC000012402410
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