Vitas-M small molecule compound
10-(cyclopropylcarbonyl)-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL023732
SMILES COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C1CC1)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 C26H28N2O3 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3/c1-26(2)14-20-23(22(29)15-26)24(16-10-12-18(31-3)13-11-16)28(25(30)17-8-9-17)21-7-5-4-6-19(21)27-20/h4-7,10-13,17,24,27H,8-9,14-15H2,1-3H3InChIKey
QHCUJCHUUCOJFG-UHFFFAOYSA-NSynonyms
10(cyclopropylcarbonyl)11(4methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5(cyclopropanecarbonyl)6(4methoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4CC4)C5=CC=C(C=C5)OC)C(=O)C1)C
InChI=1SC26H28N2O3c126(2)142023(22(29)1526)24(16101218(313)131116)28(25(30)178917)21754619(21)2720h471013172427H891415H213H3
MFCD01947951
ZINC000004993980
ZINC000004993981
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