Vitas-M small molecule compound
10-acetyl-3,3-dimethyl-11-(3-nitrophenyl)-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK076326
SMILES CC(=O)N1C(c2cccc(c2)[N+](=O)[O-])C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)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 C30H27N3O5 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O5/c1-18(34)32-25-13-12-21(29(36)19-8-5-4-6-9-19)15-23(25)31-24-16-30(2,3)17-26(35)27(24)28(32)20-10-7-11-22(14-20)33(37)38/h4-15,28,31H,16-17H2,1-3H3InChIKey
CBOCRASEOKOXNZ-UHFFFAOYSA-NSynonyms
10acetyl33dimethyl11(3nitrophenyl)7(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl2benzoyl99dimethyl6(3nitrophenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=C1C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
CC(=O)N1C(c2cccc(c2)(N+)(=O)(O))C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C
InChI=1SC30H27N3O5c118(34)3225131221(29(36)198546919)1523(25)31241630(23)1726(35)27(24)28(32)201071122(1420)33(37)38h4152831H1617H213H3
MFCD02224870
STK076326
ZINC000000864957
ZINC000000864958
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