Vitas-M small molecule compound
ethyl 4-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-1,3,4-thiadiazol-2-yl}amino)benzoate
Catalog ID
STL079800
SMILES CCOC(=O)c1ccc(cc1)Nc1nnc(s1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C26H22N4O4S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S/c1-2-34-25(33)17-11-13-18(14-12-17)27-26-29-28-21(35-26)10-5-15-30-23(31)19-8-3-6-16-7-4-9-20(22(16)19)24(30)32/h3-4,6-9,11-14H,2,5,10,15H2,1H3,(H,27,29)InChIKey
JOIWKSKPIWNGER-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
ethyl4((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)134thiadiazol2yl)amino)benzoate
ethyl4((5(3(13dioxobenzo(de)isoquinolin2yl)propyl)134thiadiazol2yl)amino)benzoate
InChI=1SC26H22N4O4Sc123425(33)17111318(141217)2726292821(3526)105153023(31)198361674920(22(16)19)24(30)32h34691114H251015H21H3(H2729)
MFCD08236331
ZINC000027586442
ZINC27586442
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