Vitas-M small molecule compound
4-(3,5-di-tert-butyl-4-hydroxyphenyl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408457
SMILES CC(c1cc(cc(c1O)C(C)(C)C)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)O)(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 C25H35N3O3S2 MW 489.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O3S2/c1-24(2,3)16-11-14(12-17(20(16)30)25(4,5)6)21-19-22(26-18(29)13-33-21)28(27-23(19)31)15-7-9-32-10-8-15/h11-12,15,21,30H,7-10,13H2,1-6H3,(H,26,29)(H,27,31)InChIKey
MDDVJEKMXOFJDH-UHFFFAOYSA-NSynonyms
1574485-64-51574485645
4(35ditertbutyl4hydroxyphenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(35ditertbutyl4hydroxyphenyl)7hydroxy1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4
CC(c1cc(cc(c1O)C(C)(C)C)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O)(C)C
InChI=1SC25H35N3O3S2c124(23)161114(1217(20(16)30)25(45)6)211922(2618(29)133321)28(2723(19)31)15793210815h1112152130H71013H216H3(H2629)(H2731)
MFCD30705232
ZINC000096116663
ZINC000096116664
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