Vitas-M small molecule compound
4-cyclohexyl-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408543
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)C1CCCCC1)C1CCOC(C1)(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 C19H29N3O3S MW 379.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N3O3S/c1-19(2)10-13(8-9-25-19)22-17-15(18(24)21-22)16(26-11-14(23)20-17)12-6-4-3-5-7-12/h12-13,16H,3-11H2,1-2H3,(H,20,23)(H,21,24)InChIKey
PLCXRNVPOAPKRP-UHFFFAOYSA-NSynonyms
1574529-48-81574529488
4cyclohexyl1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4cyclohexyl1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4CCCCC4)C(=O)N2)C
InChI=1SC19H29N3O3Sc119(2)1013(892519)221715(18(24)2122)16(261114(23)2017)126435712h121316H311H212H3(H2023)(H2124)
MFCD30705269
OC1=Nc2n((nH)c(=O)c2C(SC1)C1CCCCC1)C1CCOC(C1)(C)C
ZINC000096223394
ZINC000096223398
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