Vitas-M small molecule compound
10-propanoyl-3-(thiophen-2-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK766526
SMILES CCC(=O)N1C(c2ccc(cc2)C(F)(F)F)C2=C(Nc3c1cccc3)CC(CC2=O)c1cccs1
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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 C27H23F3N2O2S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O2S/c1-2-24(34)32-21-7-4-3-6-19(21)31-20-14-17(23-8-5-13-35-23)15-22(33)25(20)26(32)16-9-11-18(12-10-16)27(28,29)30/h3-13,17,26,31H,2,14-15H2,1H3InChIKey
ALJFDROAVDRWKD-UHFFFAOYSA-NSynonyms
10PROPANOYL3(2THIENYL)11(4(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
10propanoyl3(thiophen2yl)11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5propanoyl9thiophen2yl6(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CS3)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F
InChI=1SC27H23F3N2O2Sc1224(34)3221743619(21)31201417(2385133523)1522(33)25(20)26(32)1691118(121016)27(2829)30h313172631H21415H21H3
MFCD03036134
ZINC000000718098
ZINC000000718102
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