Vitas-M small molecule compound
{4-[(4-benzylpiperazin-1-yl)carbonothioyl]-2-methoxyphenoxy}acetic acid
Catalog ID
STK710816
SMILES COc1cc(ccc1OCC(=O)O)C(=S)N1CCN(CC1)Cc1ccccc1
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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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-26-19-13-17(7-8-18(19)27-15-20(24)25)21(28)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,25)InChIKey
JJXXJCMVHFBOLY-UHFFFAOYSA-NSynonyms
933622-41-4(4((4benzylpiperazin1yl)carbonothioyl)2methoxyphenoxy)aceticacid
2(4(4benzylpiperazin4ium1carbothioyl)2methoxyphenoxy)acetate
2(4(4benzylpiperazine1carbonothioyl)2methoxyphenoxy)aceticacid
933622414
COC1=C(C=CC(=C1)C(=S)N2CC(NH+)(CC2)CC3=CC=CC=C3)OCC(=O)(O)
InChI=1SC21H24N2O4Sc126191317(7818(19)271520(24)25)21(28)2311922(101223)14165324616h2813H9121415H21H3(H2425)
MFCD09539599
ZINC000013547795
ZINC13547795
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