Vitas-M small molecule compound
N-cyclopropyl-1-(6-{2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
Catalog ID
STL103154
SMILES CCc1cccc(c1NC(=O)Cn1cnc2c(c1=O)sc(n2)N1CCC(CC1)C(=O)NC1CC1)C
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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 C25H30N6O3S MW 494.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N6O3S/c1-3-16-6-4-5-15(2)20(16)28-19(32)13-31-14-26-22-21(24(31)34)35-25(29-22)30-11-9-17(10-12-30)23(33)27-18-7-8-18/h4-6,14,17-18H,3,7-13H2,1-2H3,(H,27,33)(H,28,32)InChIKey
MCLLMCBSHLYSJL-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5)C
InChI=1SC25H30N6O3Sc131664515(2)20(16)2819(32)133114262221(24(31)34)3525(2922)3011917(101230)23(33)27187818h46141718H3713H212H3(H2733)(H2832)
MFCD20734769
Ncyclopropyl1(6(2((2ethyl6methylphenyl)amino)2oxoethyl)7oxo67dihydro(13)thiazolo(45d)pyrimidin2yl)piperidine4carboxamide
Ncyclopropyl1(6(2(2ethyl6methylanilino)2oxoethyl)7oxo(13)thiazolo(45d)pyrimidin2yl)piperidine4carboxamide
ZINC000065101372
ZINC65101372
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