Vitas-M small molecule compound

1-{1-hydroxy-3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-phenylethanone

Catalog ID
STK559293
SMILES OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])C(=O)Cc2ccccc2)cccc3)CC(C1)(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 C33H29N3O5 MW 547.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5/c1-33(2)19-25-31(27(37)20-33)32(29-17-16-28(41-29)22-12-14-23(15-13-22)36(39)40)35(26-11-7-6-10-24(26)34-25)30(38)18-21-8-4-3-5-9-21/h3-17,32,37H,18-20H2,1-2H3
InChIKey
LYSZPNSRNSPJSA-UHFFFAOYSA-N
Synonyms

1(1hydroxy33dimethyl11(5(4nitrophenyl)furan2yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)2phenylethanone
MFCD03810747
OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C(=O)Cc2ccccc2)cccc3)CC(C1)(C)C
ZINC000102485830
ZINC000102485835

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Available files

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