Vitas-M small molecule compound
5-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK675344
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1
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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 C37H37N3O3 MW 571.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37N3O3/c1-37(2)22-29-34-28-11-7-6-10-26(28)12-14-30(34)38-36(35(29)33(41)23-37)27-13-15-31(32(21-27)40(42)43)39-18-16-25(17-19-39)20-24-8-4-3-5-9-24/h3-15,21,25,36,38H,16-20,22-23H2,1-2H3InChIKey
GLRWJYMPXPOFQD-UHFFFAOYSA-NSynonyms
5(4(4benzylpiperidin1yl)3nitrophenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(4(4benzylpiperidin1yl)3nitrophenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)N6CCC(CC6)CC7=CC=CC=C7)(N+)(=O)(O))C(=O)C1)C
InChI=1SC37H37N3O3c137(2)2229342811761026(28)121430(34)3836(35(29)33(41)2337)27131531(32(2127)40(42)43)39181625(171939)20248435924h31521253638H16202223H212H3
MFCD01572089
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)(N+)(=O)(O))N1CCC(CC1)Cc1ccccc1
ZINC000008425040
ZINC000008425045
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