Vitas-M small molecule compound
N-(furan-2-ylmethyl)-3,3-dimethyl-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK149985
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)N(C(=S)NCc1ccco1)c1c(N2)cccc1
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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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-26(2)13-20-23(22(31)14-26)24(17-7-5-11-27-15-17)30(21-10-4-3-9-19(21)29-20)25(33)28-16-18-8-6-12-32-18/h3-12,15,24,29H,13-14,16H2,1-2H3,(H,28,33)InChIKey
FNSPKZVMACUPCG-UHFFFAOYSA-NSynonyms
10(((2FURYLMETHYL)AMINO)THIOXOMETHYL)33DIMETHYL11(3PYRIDYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NCC4=CC=CO4)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC26H26N4O2Sc126(2)132023(22(31)1426)24(177511271517)30(211043919(21)2920)25(33)28161886123218h312152429H131416H212H3(H2833)
MFCD04221963
N(furan2ylmethyl)33dimethyl1oxo11(pyridin3yl)1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
N(furan2ylmethyl)99dimethyl7oxo6pyridin3yl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
ZINC000001123561
ZINC000001123568
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