Vitas-M small molecule compound
methyl 4-[3,3-dimethyl-10-(2-methylpropanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK037988
SMILES COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C(C)C)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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-16(2)25(31)29-21-9-7-6-8-19(21)28-20-14-27(3,4)15-22(30)23(20)24(29)17-10-12-18(13-11-17)26(32)33-5/h6-13,16,24,28H,14-15H2,1-5H3InChIKey
PCKKWYMEJUDDQQ-UHFFFAOYSA-NSynonyms
525582-67-6525582676
CC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)C
InChI=1SC27H30N2O4c116(2)25(31)2921976819(21)28201427(34)1522(30)23(20)24(29)17101218(131117)26(32)335h613162428H1415H215H3
methyl4(10isobutyryl33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(33dimethyl10(2methylpropanoyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
METHYL4(33DIMETHYL10(2METHYLPROPANOYL)1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)BENZOATE
methyl4(99dimethyl5(2methylpropanoyl)7oxo681011tetrahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03194920
STK037988
ZINC000018323787
ZINC000018323791
Check stock
See real-time availability and sample size for STK037988 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.