Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(cyanomethyl)-1H-indol-3-yl]methylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL507124
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C/c1cn(c3c1cccc3)CC#N)/s2
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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 C28H24N4O4S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O4S/c1-4-36-27(34)24-17(2)30-28-32(25(24)18-8-7-9-20(14-18)35-3)26(33)23(37-28)15-19-16-31(13-12-29)22-11-6-5-10-21(19)22/h5-11,14-16,25H,4,13H2,1-3H3/b23-15-InChIKey
JLGUTYXGOXYUGB-HAHDFKILSA-NSynonyms
132452225
ethyl(2~(Z))2((1(cyanomethyl)indol3yl)methylidene)5(3methoxyphenyl)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((1(cyanomethyl)1Hindol3yl)methylidene)5(3methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H24N4O4Sc143627(34)2417(2)302832(25(24)1887920(1418)353)26(33)23(3728)15191631(131229)2211651021(19)22h511141625H413H213H3b2315
MFCD31614754
ZINC000408920504
ZINC000408920505
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