Vitas-M small molecule compound
N-{10-[(4-{4-[(4-hydroxyquinazolin-2-yl)methyl]piperazin-1-yl}-4-oxobutyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Catalog ID
STL540795
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)N2CCN(CC2)Cc2nc(O)c3c(n2)cccc3)NC(=O)C)cc(c1OC)OC
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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 C38H44N6O7 MW 696.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N6O7/c1-23(45)40-29-13-11-24-20-32(49-2)36(50-3)37(51-4)35(24)25-12-14-30(31(46)21-27(25)29)39-15-7-10-34(47)44-18-16-43(17-19-44)22-33-41-28-9-6-5-8-26(28)38(48)42-33/h5-6,8-9,12,14,20-21,29H,7,10-11,13,15-19,22H2,1-4H3,(H,39,46)(H,40,45)(InChIKey
NVZWRJJLLVMJSO-UHFFFAOYSA-NSynonyms
~(N)(123trimethoxy9oxo10((4oxo4(4((4oxo3~(H)quinazolin2yl)methyl)piperazin1yl)butyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
135639560
InChI=1SC38H44N6O7c123(45)40291311242032(492)36(503)37(514)35(24)25121430(31(46)2127(25)29)391571034(47)44181643(171944)22334128965826(28)38(48)4233h56891214202129H7101113151922H214H3(H3946)(H4045)(H414248)
MFCD31755185
N(10((4(4((4hydroxyquinazolin2yl)methyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653159
ZINC000206234218
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