Vitas-M small molecule compound
6-(2,3,4,5-tetramethylphenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
Catalog ID
STK209941
SMILES O=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1cc(C)c(c(c1C)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 C26H23NOS MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NOS/c1-14-13-20(17(4)16(3)15(14)2)26-23-24(18-9-5-6-10-19(18)25(23)28)27-21-11-7-8-12-22(21)29-26/h5-13,26-27H,1-4H3InChIKey
DQTHXMFGUFCFDV-UHFFFAOYSA-NSynonyms
11(2345tetramethylphenyl)511dihydroindeno(21c)(15)benzothiazepin12one
6(2345tetramethylphenyl)612dihydro5Hbenzo(b)indeno(12e)(14)thiazepin5one
CC1=C(C(=C(C(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2)C)C)C
InChI=1SC26H23NOSc1141320(17(4)16(3)15(14)2)262324(189561019(18)25(23)28)272111781222(21)2926h5132627H14H3
MFCD05843668
ZINC000002444916
ZINC000002444917
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