Vitas-M small molecule compound
10-hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK047518
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1
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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 C31H31N3O4 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4/c1-2-3-5-17-29(36)33-27-16-9-8-15-25(27)32-26-19-23(21-11-6-4-7-12-21)20-28(35)30(26)31(33)22-13-10-14-24(18-22)34(37)38/h4,6-16,18,23,31-32H,2-3,5,17,19-20H2,1H3InChIKey
YEFQGGDTEOUHGY-UHFFFAOYSA-NSynonyms
438476-30-310hexanoyl11(3nitrophenyl)3phenyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438476303
5hexanoyl6(3nitrophenyl)9phenyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC(=CC=C5)(N+)(=O)(O)
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
InChI=1SC31H31N3O4c12351729(36)332716981525(27)32261923(21116471221)2028(35)30(26)31(33)2213101424(1822)34(37)38h461618233132H235171920H21H3
MFCD01922787
STK047518
ZINC000013882119
ZINC000013882122
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