Vitas-M small molecule compound
3,3-dimethyl-11-(4-nitrophenyl)-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK143082
SMILES CCCCC(=O)N1C(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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-4-5-10-23(31)28-21-9-7-6-8-19(21)27-20-15-26(2,3)16-22(30)24(20)25(28)17-11-13-18(14-12-17)29(32)33/h6-9,11-14,25,27H,4-5,10,15-16H2,1-3H3InChIKey
CNNWALFBTGPNRD-UHFFFAOYSA-NSynonyms
362589-47-733dimethyl11(4nitrophenyl)10pentanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362589477
99dimethyl6(4nitrophenyl)5pentanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)(N+)(=O)(O)
CCCCC(=O)N1C(c2ccc(cc2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC26H29N3O4c1451023(31)2821976819(21)27201526(23)1622(30)24(20)25(28)17111318(141217)29(32)33h6911142527H45101516H213H3
MFCD01471111
ZINC000008431451
ZINC000008431452
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