Vitas-M small molecule compound
methyl 4-[3,3-dimethyl-1-oxo-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK021063
SMILES COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)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 C30H28N2O4 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4/c1-30(2)17-23-26(25(33)18-30)27(19-13-15-21(16-14-19)29(35)36-3)32(24-12-8-7-11-22(24)31-23)28(34)20-9-5-4-6-10-20/h4-16,27,31H,17-18H2,1-3H3InChIKey
HMLHXJUPWMTLFN-UHFFFAOYSA-NSynonyms
525582-68-7525582687
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC)C(=O)C1)C
COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(C)C
InChI=1SC30H28N2O4c130(2)172326(25(33)1830)27(19131521(161419)29(35)363)32(2412871122(24)3123)28(34)2095461020h4162731H1718H213H3
methyl4(10benzoyl33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(33dimethyl1oxo10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5benzoyl99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03194921
STK021063
ZINC000018277034
ZINC000018277036
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