Vitas-M small molecule compound
5-(4-hydroxy-3-methoxy-2-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK758218
SMILES COc1c(O)ccc(c1[N+](=O)[O-])C1Nc2ccc3c(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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-26(2)12-17-21-15-7-5-4-6-14(15)8-10-18(21)27-23(22(17)20(30)13-26)16-9-11-19(29)25(33-3)24(16)28(31)32/h4-11,23,27,29H,12-13H2,1-3H3InChIKey
UQLVLFWQFRDLSF-UHFFFAOYSA-NSynonyms
5(4hydroxy3methoxy2nitrophenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(4hydroxy3methoxy2nitrophenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C(=C(C=C5)O)OC)(N+)(=O)(O))C(=O)C1)C
COc1c(O)ccc(c1(N+)(=O)(O))C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
InChI=1SC26H24N2O5c126(2)12172115754614(15)81018(21)2723(22(17)20(30)1326)1691119(29)25(333)24(16)28(31)32h411232729H1213H213H3
MFCD00607047
ZINC000003206537
ZINC000003206539
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