Vitas-M small molecule compound
N-{(7S)-10-[(1-{4-[(4-hydroxyquinazolin-2-yl)methyl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Catalog ID
STL547549
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC(C(=O)N2CCN(CC2)Cc2nc(O)c3c(n2)cccc3)CC(C)C)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 C40H48N6O7 MW 724.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H48N6O7/c1-23(2)19-32(40(50)46-17-15-45(16-18-46)22-35-43-29-10-8-7-9-27(29)39(49)44-35)42-31-14-12-26-28(21-33(31)48)30(41-24(3)47)13-11-25-20-34(51-4)37(52-5)38(53-6)36(25)26/h7-10,12,14,20-21,23,30,32H,11,13,15-19,22H2,1-6H3,(H,41,47)(H,42,InChIKey
RXOOFAKPNMCCSD-TZYYSAMKSA-NSynonyms
~(N)((7~(S))123trimethoxy10((4methyl1oxo1(4((4oxo3~(H)quinazolin2yl)methyl)piperazin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
135639771
InChI=1SC40H48N6O7c123(2)1932(40(50)46171545(161846)223543291087927(29)39(49)4435)423114122628(2133(31)48)30(4124(3)47)1311252034(514)37(525)38(536)36(25)26h71012142021233032H1113151922H216H3(H4147)(H4248)(H434449)t3032?m0s1
N((7S)10((1(4((4hydroxyquinazolin2yl)methyl)piperazin1yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586271
ZINC000409415046
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