Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL313976
SMILES COc1cc(ccc1OC)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 C19H23N3O5S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S/c1-25-13-4-3-11(9-14(13)26-2)17-16-18(20-15(23)10-28-17)22(21-19(16)24)12-5-7-27-8-6-12/h3-4,9,12,17H,5-8,10H2,1-2H3,(H,20,23)(H,21,24)InChIKey
MNAFNCSCNNPNMY-UHFFFAOYSA-NSynonyms
1574308-32-91574308329
4(34dimethoxyphenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(34dimethoxyphenyl)7hydroxy1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOCC4)OC
COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O
InChI=1SC19H23N3O5Sc125134311(914(13)262)171618(2015(23)102817)22(2119(16)24)1257278612h3491217H5810H212H3(H2023)(H2124)
MFCD28030428
ZINC000095476010
ZINC000095476011
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