Vitas-M small molecule compound
methyl (2E)-2-{[4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-oxobutanoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STK641452
SMILES COC(=O)c1s/c(=N/C(=O)CCC(=O)N2CCc3c(C2)c2cc(F)ccc2[nH]3)/[nH]c1C
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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 C21H21FN4O4S MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O4S/c1-11-19(20(29)30-2)31-21(23-11)25-17(27)5-6-18(28)26-8-7-16-14(10-26)13-9-12(22)3-4-15(13)24-16/h3-4,9,24H,5-8,10H2,1-2H3,(H,23,25,27)InChIKey
MSKAYKGMRBNCGK-UHFFFAOYSA-NSynonyms
1010889-24-31010889243
CC1=C(SC(=N1)NC(=O)CCC(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)F)C(=O)OC
COC(=O)c1sc(=NC(=O)CCC(=O)N2CCc3c(C2)c2cc(F)ccc2(nH)3)(nH)c1C
InChI=1SC21H21FN4O4Sc11119(20(29)302)3121(2311)2517(27)5618(28)26871614(1026)13912(22)3415(13)2416h34924H5810H212H3(H232527)
methyl(2E)2((4(8fluoro1345tetrahydro2Hpyrido(43b)indol2yl)4oxobutanoyl)imino)4methyl23dihydro13thiazole5carboxylate
methyl2((4(8fluoro1345tetrahydropyrido(43b)indol2yl)4oxobutanoyl)amino)4methyl13thiazole5carboxylate
MFCD18162658
ZINC000012390223
ZINC12390223
ZINC49937921
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