Vitas-M small molecule compound
3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK868263
SMILES CCCCC(=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 C30H31N3O5 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O5/c1-4-5-10-27(35)32-23-9-7-6-8-21(23)31-22-17-30(2,3)18-24(34)28(22)29(32)26-16-15-25(38-26)19-11-13-20(14-12-19)33(36)37/h6-9,11-16,29,31H,4-5,10,17-18H2,1-3H3InChIKey
MOBCATQFZRZFEZ-UHFFFAOYSA-NSynonyms
312621-18-4312621184
33dimethyl11(5(4nitrophenyl)furan2yl)10pentanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(5(4nitrophenyl)furan2yl)5pentanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCC(=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)
CCCCC(=O)N1C(c2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC30H31N3O5c1451027(35)3223976821(23)31221730(23)1824(34)28(22)29(32)26161525(3826)19111320(141219)33(36)37h6911162931H45101718H213H3
MFCD01466116
ZINC000016977148
ZINC000016977154
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