Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]methanamine
Catalog ID
STL042556
SMILES CCc1[nH]/c(=N/Cc2ccc3c(c2)OCO3)/c2c(n1)c1ccccc1o2
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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 C20H17N3O3 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3/c1-2-17-22-18-13-5-3-4-6-14(13)26-19(18)20(23-17)21-10-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,21,22,23)InChIKey
IDHSJUIDCPNMMR-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)N((4E)2ethyl(1)benzofuro(32d)pyrimidin4(3H)ylidene)methanamine
CCc1(nH)c(=NCc2ccc3c(c2)OCO3)c2c(n1)c1ccccc1o2
CCC1=NC2=C(C(=N1)NCC3=CC4=C(C=C3)OCO4)OC5=CC=CC=C52
InChI=1SC20H17N3O3c1217221813534614(13)2619(18)20(2317)211012781516(912)25112415h39H21011H21H3(H212223)
MFCD18192493
N(13BENZODIOXOL5YLMETHYL)2ETHYL(1)BENZOFURO(32D)PYRIMIDIN4AMINE
ZINC000005180039
ZINC05180039
ZINC5180039
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