Vitas-M small molecule compound
5-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Catalog ID
STK753952
SMILES O=C1CC(C)(C)CC2=C1c1c(NC2c2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])ccc2c1cccc2
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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 C29H23ClN2O4 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O4/c1-29(2)14-20-27(23(33)15-29)26-18-6-4-3-5-16(18)7-10-22(26)31-28(20)25-12-11-24(36-25)19-13-17(32(34)35)8-9-21(19)30/h3-13,28,31H,14-15H2,1-2H3InChIKey
YGICZJQAQJKVDG-UHFFFAOYSA-NSynonyms
5(5(2chloro5nitrophenyl)furan2yl)33dimethyl2456tetrahydrobenzo(a)phenanthridin1one
5(5(2chloro5nitrophenyl)furan2yl)33dimethyl3456tetrahydrobenzo(a)phenanthridin1(2H)one
CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(O5)C6=C(C=CC(=C6)(N+)(=O)(O))Cl)C
InChI=1SC29H23ClN2O4c129(2)142027(23(33)1529)2618643516(18)71022(26)3128(20)25121124(3625)191317(32(34)35)8921(19)30h3132831H1415H212H3
MFCD00501892
O=C1CC(C)(C)CC2=C1c1c(NC2c2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))ccc2c1cccc2
ZINC000003017135
ZINC000003017139
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