Vitas-M small molecule compound
11-(5-bromothiophen-2-yl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STL173623
SMILES Brc1ccc(s1)C1C2=C(Nc3c(N1C(=S)Nc1ccccc1)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 C26H24BrN3OS2 MW 538.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3OS2/c1-26(2)14-18-23(20(31)15-26)24(21-12-13-22(27)33-21)30(19-11-7-6-10-17(19)29-18)25(32)28-16-8-4-3-5-9-16/h3-13,24,29H,14-15H2,1-2H3,(H,28,32)InChIKey
MOAPDBBLNDDSFR-UHFFFAOYSA-NSynonyms
11(5BROMO(2THIENYL))33DIMETHYL10((PHENYLAMINO)THIOXOMETHYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(5bromothiophen2yl)33dimethyl1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
6(5bromothiophen2yl)99dimethyl7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=C(S5)Br)C(=O)C1)C
InChI=1SC26H24BrN3OS2c126(2)141823(20(31)1526)24(21121322(27)3321)30(1911761017(19)2918)25(32)28168435916h3132429H1415H212H3(H2832)
MFCD02334673
ZINC000098044618
ZINC000098044619
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