Vitas-M small molecule compound

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

Catalog ID
STK135518
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(c1cccs1)N(c1c(N2)cccc1)C(=O)CSc1nc2c(s1)cccc2

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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 C33H27N3O3S3 MW 609.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O3S3/c1-39-22-14-12-20(13-15-22)21-17-25-31(27(37)18-21)32(29-11-6-16-40-29)36(26-9-4-2-7-23(26)34-25)30(38)19-41-33-35-24-8-3-5-10-28(24)42-33/h2-16,21,32,34H,17-19H2,1H3
InChIKey
GSRZBVWUZNNIHW-UHFFFAOYSA-N
Synonyms

10((13benzothiazol2ylsulfanyl)acetyl)3(4methoxyphenyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10(2BENZOTHIAZOL2YLTHIOACETYL)3(4METHOXYPHENYL)11(2THIENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
5(2(13benzothiazol2ylsulfanyl)acetyl)9(4methoxyphenyl)6thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CSC5=NC6=CC=CC=C6S5)C7=CC=CS7)C(=O)C2
InChI=1SC33H27N3O3S3c13922141220(131522)21172531(27(37)1821)32(29116164029)36(26942723(26)3425)30(38)19413335248351028(24)4233h216213234H1719H21H3
MFCD02375478
ZINC000097948876
ZINC000097948879

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Available files

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