Vitas-M small molecule compound
1-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidinium-2-carboxylate
Catalog ID
STK590445
SMILES CCc1nc2c3ccccc3oc2c(n1)[NH+]1CCCC1C(=O)[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 C17H17N3O3 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3/c1-2-13-18-14-10-6-3-4-8-12(10)23-15(14)16(19-13)20-9-5-7-11(20)17(21)22/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,21,22)InChIKey
VHWPVFLQOPFZLH-UHFFFAOYSA-NSynonyms
1008212-14-31(2ETHYL(1)BENZOFURO(32D)PYRIMIDIN4YL)PYRROLIDINE2CARBOXYLICACID
1(2ethyl(1)benzofuro(32d)pyrimidin4yl)pyrrolidinium2carboxylate
1(2ETHYLBENZO(D)PYRIMIDINO(56B)FURAN4YL)PYRROLIDINE2CARBOXYLICACID
1(2ETHYLBENZOFURO(32D)PYRIMIDIN4YL)PYRROLIDINE2CARBOXYLICACID
1008212143
CCC1=NC2=C(C(=N1)N3CCCC3C(=O)O)OC4=CC=CC=C42
CCc1nc2c3ccccc3oc2c(n1)(NH+)1CCCC1C(=O)(O)
InChI=1SC17H17N3O3c1213181410634812(10)2315(14)16(1913)2095711(20)17(21)22h346811H2579H21H3(H2122)
MFCD18158380
ZINC000055157333
ZINC000055157334
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