Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]hexanamide
Catalog ID
STL544915
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc(c2)c2n[nH]cn2)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 C35H40N6O6 MW 640.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O6/c1-21(42)39-27-14-12-22-18-30(45-2)33(46-3)34(47-4)32(22)25-13-15-28(29(43)19-26(25)27)36-16-7-5-6-11-31(44)40-24-10-8-9-23(17-24)35-37-20-38-41-35/h8-10,13,15,17-20,27H,5-7,11-12,14,16H2,1-4H3,(H,36,43)(H,39,42)(H,40,44)(H,37,38,41)/tInChIKey
CLTBIDGKRYXVOI-MHZLTWQESA-NSynonyms
1574294-77-1(S)N(3(1H124triazol3yl)phenyl)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamide
1574294771
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1~(H)124triazol5yl)phenyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1H124triazol3yl)phenyl)hexanamide
75491429
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc(c2)c2n(nH)cn2)NC(=O)C)cc(c1OC)OC
InChI=1SC35H40N6O6c121(42)39271412221830(452)33(463)34(474)32(22)25131528(29(43)1926(25)27)36167561131(44)4024108923(1724)353720384135h8101315172027H5711121416H214H3(H3643)(H3942)(H4044)(H373841)t27m0s1
ZINC000150653237
ZINC150653237
Check stock
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Check stock on Vitas-MAvailable files
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