Vitas-M small molecule compound

3,3-dimethyl-11-[5-(2-methyl-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
STK868343
SMILES CCC(=O)N1C(c2ccc(o2)c2ccc(cc2C)[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 C29H29N3O5 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5/c1-5-26(34)31-22-9-7-6-8-20(22)30-21-15-29(3,4)16-23(33)27(21)28(31)25-13-12-24(37-25)19-11-10-18(32(35)36)14-17(19)2/h6-14,28,30H,5,15-16H2,1-4H3
InChIKey
IBPWICYXVHFGOD-UHFFFAOYSA-N
Synonyms
369403-90-7
33dimethyl11(5(2methyl4nitrophenyl)furan2yl)10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(5(2methyl4nitrophenyl)furan2yl)10propionyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
369403907
99dimethyl6(5(2methyl4nitrophenyl)furan2yl)5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))C
CCC(=O)N1C(c2ccc(o2)c2ccc(cc2C)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC29H29N3O5c1526(34)3122976820(22)30211529(34)1623(33)27(21)28(31)25131224(3725)19111018(32(35)36)1417(19)2h6142830H51516H214H3
MFCD01921791
ZINC000009087923
ZINC000016994448

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Available files

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