Vitas-M small molecule compound
ethyl (2E)-2-({[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL242079
SMILES COCCn1cc(C(=O)/N=c\2/sc(c([nH]2)C)C(=O)OCC)c2c(c1=O)cccc2
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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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-4-28-19(26)16-12(2)21-20(29-16)22-17(24)15-11-23(9-10-27-3)18(25)14-8-6-5-7-13(14)15/h5-8,11H,4,9-10H2,1-3H3,(H,21,22,24)InChIKey
MISVCERNBDNCNM-UHFFFAOYSA-NSynonyms
1324077-02-21324077022
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)CCOC)C
COCCn1cc(C(=O)N=c2sc(c((nH)2)C)C(=O)OCC)c2c(c1=O)cccc2
ethyl(2E)2(((2(2methoxyethyl)1oxo12dihydroisoquinolin4yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2(2methoxyethyl)1oxoisoquinoline4carbonyl)amino)4methyl13thiazole5carboxylate
InChI=1SC20H21N3O5Sc142819(26)1612(2)2120(2916)2217(24)151123(910273)18(25)14865713(14)15h5811H4910H213H3(H212224)
MFCD24859185
ZINC000071284064
ZINC71284064
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