Vitas-M small molecule compound

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

Catalog ID
STK164631
SMILES CCC(=O)N1C(c2ccc(o2)c2ccc(cc2)[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)30-21-8-6-5-7-19(21)29-20-15-28(2,3)16-22(32)26(20)27(30)24-14-13-23(36-24)17-9-11-18(12-10-17)31(34)35/h5-14,27,29H,4,15-16H2,1-3H3
InChIKey
QRFXZPVMQWAOJM-UHFFFAOYSA-N
Synonyms
312621-31-1
312621311
33dimethyl11(5(4nitrophenyl)furan2yl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(5(4nitrophenyl)furan2yl)10propionyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(5(4nitrophenyl)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=C(C=C5)(N+)(=O)(O)
CCC(=O)N1C(c2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC28H27N3O5c1425(33)3021865719(21)29201528(23)1622(32)26(20)27(30)24141323(3624)1791118(121017)31(34)35h5142729H41516H213H3
MFCD01466046
ZINC000018265648
ZINC000018265651

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Available files

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