Vitas-M small molecule compound
1-cyclooctyl-7-hydroxy-4-(4-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL311923
SMILES COc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCCC1)O
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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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-27-16-11-9-14(10-12-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)15-7-5-3-2-4-6-8-15/h9-12,15,19H,2-8,13H2,1H3,(H,22,25)(H,23,26)InChIKey
CFLZRJPULJQTAV-UHFFFAOYSA-NSynonyms
1435988-93-41435988934
1cyclooctyl4(4methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclooctyl7hydroxy4(4methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCCC4
COc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCCC1)O
InChI=1SC21H27N3O3Sc1271611914(101216)191820(2217(25)132819)24(2321(18)26)15753246815h9121519H2813H21H3(H2225)(H2326)
MFCD28026373
ZINC000095474400
ZINC000095474401
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