Vitas-M small molecule compound
10-acetyl-3,3-dimethyl-11-[1-phenyl-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-4-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK149987
SMILES O=C1CC(C)(C)CC2=C1C(N(C(=O)C)c1c(N2)cccc1)c1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1
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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 C36H40N4O2 MW 560.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N4O2/c1-22(41)40-30-12-8-7-11-28(30)37-29-19-35(2,3)20-31(42)32(29)33(40)27-21-39(26-9-5-4-6-10-26)38-34(27)36-16-23-13-24(17-36)15-25(14-23)18-36/h4-12,21,23-25,33,37H,13-20H2,1-3H3InChIKey
FPSKDYIMKVIZJO-UHFFFAOYSA-NSynonyms
10ACETYL11(3ADAMANTANYL1PHENYLPYRAZOL4YL)33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPINE
10acetyl33dimethyl11(1phenyl3(tricyclo(3311~37~)dec1yl)1Hpyrazol4yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl6(3(1adamantyl)1phenylpyrazol4yl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CN(N=C4C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8
InChI=1SC36H40N4O2c122(41)403012871128(30)37291935(23)2031(42)32(29)33(40)272139(2695461026)3834(27)3616231324(1736)1525(1423)1836h4122123253337H1320H213H3
MFCD04221966
ZINC000097948281
ZINC000097948282
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