Vitas-M small molecule compound
3-(4-methoxyphenyl)-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK094374
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccsc1
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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 C24H22N2O2S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O2S/c1-28-18-8-6-15(7-9-18)17-12-21-23(22(27)13-17)24(16-10-11-29-14-16)26-20-5-3-2-4-19(20)25-21/h2-11,14,17,24-26H,12-13H2,1H3InChIKey
NTRBLVCPTJLSQU-UHFFFAOYSA-NSynonyms
3(4METHOXYPHENYL)11(3THIENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4methoxyphenyl)11(thiophen3yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methoxyphenyl)6thiophen3yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CSC=C5)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccsc1
InChI=1SC24H22N2O2Sc128188615(7918)17122123(22(27)1317)24(161011291416)2620532419(20)2521h21114172426H1213H21H3
MFCD01874785
STK094374
ZINC000018142974
ZINC000018142983
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