Vitas-M small molecule compound
{4-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetic acid
Catalog ID
STL421450
SMILES COc1cc(ccc1OCC(=O)O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)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 C22H27N3O7S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O7S/c1-22(2)9-13(6-7-32-22)25-20-18(21(29)24-25)19(33-11-16(26)23-20)12-4-5-14(15(8-12)30-3)31-10-17(27)28/h4-5,8,13,19H,6-7,9-11H2,1-3H3,(H,23,26)(H,24,29)(H,27,28)InChIKey
OLWJIJLMSRDURX-UHFFFAOYSA-NSynonyms
1630856-17-5(4(1(22dimethyltetrahydro2Hpyran4yl)7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)2methoxyphenoxy)aceticacid
1630856175
2(4(1(22dimethyloxan4yl)37dioxo48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)2methoxyphenoxy)aceticacid
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)OCC(=O)O)OC)C(=O)N2)C
COc1cc(ccc1OCC(=O)O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC22H27N3O7Sc122(2)913(673222)252018(21(29)2425)19(331116(26)2320)124514(15(812)303)311017(27)28h4581319H67911H213H3(H2326)(H2429)(H2728)
MFCD30707531
ZINC000218166800
ZINC000218167021
Check stock
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