Vitas-M small molecule compound
3,3-dimethyl-11-(3-nitrophenyl)-7-(phenylcarbonyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK016502
SMILES CCC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C
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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 C31H29N3O5 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5/c1-4-27(36)33-25-14-13-21(30(37)19-9-6-5-7-10-19)16-23(25)32-24-17-31(2,3)18-26(35)28(24)29(33)20-11-8-12-22(15-20)34(38)39/h5-16,29,32H,4,17-18H2,1-3H3InChIKey
FTHDOMMRUHVGAD-UHFFFAOYSA-NSynonyms
2benzoyl99dimethyl6(3nitrophenyl)5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
33dimethyl11(3nitrophenyl)7(phenylcarbonyl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=C1C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
CCC(=O)N1C(c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C
InChI=1SC31H29N3O5c1427(36)3325141321(30(37)1996571019)1623(25)32241731(23)1826(35)28(24)29(33)201181222(1520)34(38)39h5162932H41718H213H3
MFCD02224872
STK016502
ZINC000000864959
ZINC000000864960
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