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10-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK012074
SMILES COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CSc1nc4c(s1)cccc4)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 C31H29N3O3S2 MW 555.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3S2/c1-31(2)16-23-28(25(35)17-31)29(19-12-14-20(37-3)15-13-19)34(24-10-6-4-8-21(24)32-23)27(36)18-38-30-33-22-9-5-7-11-26(22)39-30/h4-15,29,32H,16-18H2,1-3H3
InChIKey
UXQHGUPWCKBVAY-UHFFFAOYSA-N
Synonyms

10((13benzothiazol2ylsulfanyl)acetyl)11(4methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10(2(benzo(d)thiazol2ylthio)acetyl)11(4methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10(2BENZOTHIAZOL2YLTHIOACETYL)11(4METHOXYPHENYL)33DIMETHYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
5(2(13benzothiazol2ylsulfanyl)acetyl)6(4methoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CSC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)OC)C(=O)C1)C
COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CSc1nc4c(s1)cccc4)cccc3)CC(CC2=O)(C)C
InChI=1SC31H29N3O3S2c131(2)162328(25(35)1731)29(19121420(373)151319)34(241064821(24)3223)27(36)18383033229571126(22)3930h4152932H1618H213H3
MFCD01943566
STK012074
ZINC000008426511
ZINC000008426514

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Available files

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