Vitas-M small molecule compound
N-(6-hydroxypyrido[2,3-b][1,4]benzothiazepin-8-yl)-8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL411176
SMILES COc1cc(cc2c1OCCO2)C(=O)Nc1ccc2c(c1)C(=Nc1c(S2)nccc1)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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-28-16-9-12(10-17-19(16)30-8-7-29-17)20(26)24-13-4-5-18-14(11-13)21(27)25-15-3-2-6-23-22(15)31-18/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,25,27)InChIKey
APZJWUCIFAGGEU-UHFFFAOYSA-NSynonyms
1574291-41-01574291410
5methoxyN(6oxo5Hpyrido(23b)(14)benzothiazepin8yl)23dihydro14benzodioxine7carboxamide
COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC4=C(C=C3)SC5=C(C=CC=N5)NC4=O
InChI=1SC22H17N3O5Sc12816912(101719(16)30872917)20(26)2413451814(1113)21(27)25153262322(15)3118h26911H78H21H3(H2426)(H2527)
MFCD30706579
N(6hydroxypyrido(23b)(14)benzothiazepin8yl)8methoxy23dihydro14benzodioxine6carboxamide
ZINC000096224150
ZINC96224150
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