Vitas-M small molecule compound
1-cyclohexyl-7-hydroxy-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STK564205
SMILES CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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/c1-2-12-27-16-10-8-14(9-11-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)15-6-4-3-5-7-15/h8-11,15,19H,2-7,12-13H2,1H3,(H,22,25)(H,23,26)InChIKey
LGECLPZRJKGRQL-UHFFFAOYSA-NSynonyms
573933-29-6(4R)1CYCLOHEXYL4(4PROPOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEXYL4(4PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cyclohexyl7hydroxy4(4propoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
573933296
CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCC1)O
InChI=1SC21H27N3O3Sc1212271610814(91116)191820(2217(25)132819)24(2321(18)26)156435715h8111519H271213H21H3(H2225)(H2326)
MFCD04074155
ZINC000006073274
ZINC000006073297
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