Vitas-M small molecule compound

11-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one

Catalog ID
STK210105
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1SC2c1ccc(cc1)Cl

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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 C26H22ClNO2S MW 447.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO2S/c1-30-20-12-8-16(9-13-20)18-14-22-25(23(29)15-18)26(17-6-10-19(27)11-7-17)31-24-5-3-2-4-21(24)28-22/h2-13,18,26,28H,14-15H2,1H3
InChIKey
XUAGXEOBLFQHEV-UHFFFAOYSA-N
Synonyms

11(4CHLOROPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(12E)14THIAZEPIN1ONE
11(4chlorophenyl)3(4methoxyphenyl)34511tetrahydrodibenzo(be)(14)thiazepin1(2H)one
6(4chlorophenyl)9(4methoxyphenyl)891011tetrahydro6Hbenzo(c)(15)benzothiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(SC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl)C(=O)C2
InChI=1SC26H22ClNO2Sc1302012816(91320)18142225(23(29)1518)26(1761019(27)11717)3124532421(24)2822h213182628H1415H21H3
MFCD05844021
ZINC000010035299
ZINC000010035303

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Available files

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