Vitas-M small molecule compound
3-(4-fluorophenyl)-10-hexanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK143042
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccc(cc1)F
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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 C29H29FN2O2S MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29FN2O2S/c1-2-3-4-11-27(34)32-24-9-6-5-8-22(24)31-23-17-20(19-12-14-21(30)15-13-19)18-25(33)28(23)29(32)26-10-7-16-35-26/h5-10,12-16,20,29,31H,2-4,11,17-18H2,1H3InChIKey
IXPOBCVUTCJUTR-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)10hexanoyl11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4fluorophenyl)5hexanoyl6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=CS5
InChI=1SC29H29FN2O2Sc12341127(34)3224965822(24)31231720(19121421(30)151319)1825(33)28(23)29(32)26107163526h5101216202931H24111718H21H3
MFCD02242101
ZINC000009057637
ZINC000018250730
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