Vitas-M small molecule compound
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)-2,6-dimethoxyphenolate
Catalog ID
STK563543
SMILES COc1cc(cc(c1[O-])OC)C1[NH2+]c2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c1-27(2)13-18-23-17-8-6-5-7-15(17)9-10-19(23)28-25(24(18)20(29)14-27)16-11-21(31-3)26(30)22(12-16)32-4/h5-12,25,28,30H,13-14H2,1-4H3InChIKey
OQSCTCYGPBIPDU-UHFFFAOYSA-NSynonyms
4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridinium5yl)26dimethoxyphenolate
5(4hydroxy35dimethoxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)OC)O)OC)C(=O)C1)C
COc1cc(cc(c1(O))OC)C1(NH2+)c2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
InChI=1SC27H27NO4c127(2)13182317865715(17)91019(23)2825(24(18)20(29)1427)161121(313)26(30)22(1216)324h512252830H1314H214H3
MFCD00809826
ZINC000000716883
ZINC000000716884
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