Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411304
SMILES COc1ccc(cc1)c1n[nH]cc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)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 C23H27N5O4S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O4S/c1-23(2)10-14(8-9-32-23)28-21-18(22(30)27-28)20(33-12-17(29)25-21)16-11-24-26-19(16)13-4-6-15(31-3)7-5-13/h4-7,11,14,20H,8-10,12H2,1-3H3,(H,24,26)(H,25,29)(H,27,30)InChIKey
BIHCPASWYDMXNX-UHFFFAOYSA-NSynonyms
1574483-89-81(22dimethyloxan4yl)4(5(4methoxyphenyl)1Hpyrazol4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3(4methoxyphenyl)1Hpyrazol4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574483898
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=C(NN=C4)C5=CC=C(C=C5)OC)C(=O)N2)C
COc1ccc(cc1)c1n(nH)cc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC23H27N5O4Sc123(2)1014(893223)282118(22(30)2728)20(331217(29)2521)1611242619(16)134615(313)7513h47111420H81012H213H3(H2426)(H2529)(H2730)
MFCD30706645
ZINC000096116636
ZINC000096116639
Check stock
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