Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[1-(1H-indol-2-ylcarbonyl)piperidin-4-yl]butanamide
Catalog ID
STL541761
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NC1CCN(CC1)C(=O)c1cc2c([nH]1)cccc2
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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 C39H45N5O7 MW 695.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45N5O7/c1-23(45)41-30-13-11-25-21-34(49-2)37(50-3)38(51-4)36(25)27-12-14-31(33(46)22-28(27)30)40-17-7-10-35(47)42-26-15-18-44(19-16-26)39(48)32-20-24-8-5-6-9-29(24)43-32/h5-6,8-9,12,14,20-22,26,30,43H,7,10-11,13,15-19H2,1-4H3,(H,40,46)(H,41,4InChIKey
NXDKBZKZUAESHJ-PMERELPUSA-NSynonyms
1574350-70-1(S)N(1(1Hindole2carbonyl)piperidin4yl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574350701
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(1~(H)indole2carbonyl)piperidin4yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(1Hindol2ylcarbonyl)piperidin4yl)butanamide
75492583
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NC1CCN(CC1)C(=O)c1cc2c((nH)1)cccc2
InChI=1SC39H45N5O7c123(45)41301311252134(492)37(503)38(514)36(25)27121431(33(46)2228(27)30)401771035(47)4226151844(191626)39(48)322024856929(24)4332h568912142022263043H71011131519H214H3(H4046)(H4145)(H4247)t30m0s1
ZINC000150653895
ZINC150653895
Check stock
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Check stock on Vitas-MAvailable files
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