Vitas-M small molecule compound
7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408422
SMILES COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-25-13-3-2-10(8-12(13)22)16-15-17(19-14(23)9-27-16)21(20-18(15)24)11-4-6-26-7-5-11/h2-3,8,11,16,22H,4-7,9H2,1H3,(H,19,23)(H,20,24)InChIKey
WQIPISQUEROTNN-UHFFFAOYSA-NSynonyms
1574494-24-81574494248
4(3hydroxy4methoxyphenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(3hydroxy4methoxyphenyl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOCC4)O
COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O
InChI=1SC18H21N3O5Sc125133210(812(13)22)161517(1914(23)92716)21(2018(15)24)1146267511h238111622H479H21H3(H1923)(H2024)
MFCD30705219
ZINC000096117588
ZINC000096117589
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