Vitas-M small molecule compound
3,3-dimethyl-11-[4-(pentyloxy)phenyl]-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK039941
SMILES CCCCCOc1ccc(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 C33H36N2O3 MW 508.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O3/c1-4-5-11-20-38-25-18-16-23(17-19-25)31-30-27(21-33(2,3)22-29(30)36)34-26-14-9-10-15-28(26)35(31)32(37)24-12-7-6-8-13-24/h6-10,12-19,31,34H,4-5,11,20-22H2,1-3H3InChIKey
APKQPVUXNMOUDN-UHFFFAOYSA-NSynonyms
438453-34-033dimethyl11(4(pentyloxy)phenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
438453340
5benzoyl99dimethyl6(4pentoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5
CCCCCOc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)c1ccccc1)cccc3)CC(CC2=O)(C)C
InChI=1SC33H36N2O3c14511203825181623(171925)313027(2133(23)2229(30)36)3426149101528(26)35(31)32(37)24127681324h61012193134H45112022H213H3
MFCD01920818
STK039941
ZINC000008432583
ZINC000008432585
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