Vitas-M small molecule compound
7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409175
SMILES COc1cc(cc(c1O)OC)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 C19H23N3O6S MW 421.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O6S/c1-26-12-7-10(8-13(27-2)16(12)24)17-15-18(20-14(23)9-29-17)22(21-19(15)25)11-3-5-28-6-4-11/h7-8,11,17,24H,3-6,9H2,1-2H3,(H,20,23)(H,21,25)InChIKey
KRIPJABSBFBDKB-UHFFFAOYSA-NSynonyms
1574325-07-71574325077
4(4hydroxy35dimethoxyphenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4hydroxy35dimethoxyphenyl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC(=CC(=C1O)OC)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOCC4
COc1cc(cc(c1O)OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O
InChI=1SC19H23N3O6Sc12612710(813(272)16(12)24)171518(2014(23)92917)22(2119(15)25)1135286411h78111724H369H212H3(H2023)(H2125)
MFCD30705579
ZINC000096117354
ZINC000096117355
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