Vitas-M small molecule compound

3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL169482
SMILES CCC(=O)N1C(c2ccc(o2)c2ccccc2[N+](=O)[O-])C2=C(Nc3c1cccc3)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 C28H27N3O5 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5/c1-4-25(33)30-21-12-8-6-10-18(21)29-19-15-28(2,3)16-22(32)26(19)27(30)24-14-13-23(36-24)17-9-5-7-11-20(17)31(34)35/h5-14,27,29H,4,15-16H2,1-3H3
InChIKey
XOQCXPLBVAENSH-UHFFFAOYSA-N
Synonyms
354537-15-8
33dimethyl11(5(2nitrophenyl)furan2yl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
354537158
99dimethyl6(5(2nitrophenyl)furan2yl)5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
CCC(=O)N1C(c2ccc(o2)c2ccccc2(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC28H27N3O5c1425(33)302112861018(21)29191528(23)1622(32)26(19)27(30)24141323(3624)179571120(17)31(34)35h5142729H41516H213H3
MFCD01921891
ZINC000000673723
ZINC000000673725

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Available files

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