Vitas-M small molecule compound
3-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid
Catalog ID
STK659356
SMILES COc1cc(CCNc2ccc3n(n2)c(CCC(=O)O)nn3)ccc1OC
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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 C18H21N5O4 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O4/c1-26-13-4-3-12(11-14(13)27-2)9-10-19-15-5-6-16-20-21-17(23(16)22-15)7-8-18(24)25/h3-6,11H,7-10H2,1-2H3,(H,19,22)(H,24,25)InChIKey
KSYRSGJKKQAQPY-UHFFFAOYSA-NSynonyms
1144458-00-31144458003
3(6((2(34dimethoxyphenyl)ethyl)amino)(124)triazolo(43b)pyridazin3yl)propanoicacid
3(6((34dimethoxyphenethyl)amino)(124)triazolo(43b)pyridazin3yl)propanoicacid
3(6(2(34dimethoxyphenyl)ethylamino)(124)triazolo(43b)pyridazin3yl)propanoicacid
COC1=C(C=C(C=C1)CCNC2=NN3C(=NN=C3CCC(=O)O)C=C2)OC
InChI=1SC18H21N5O4c126134312(1114(13)272)91019155616202117(23(16)2215)7818(24)25h3611H710H212H3(H1922)(H2425)
MFCD12210956
ZINC000032070295
ZINC32070295
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