Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-L-methioninamide
Catalog ID
STL549152
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)c1ncn[nH]1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C34H38N6O6S MW 658.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N6O6S/c1-19(41)37-25-12-8-21-16-29(44-2)31(45-3)32(46-4)30(21)23-11-13-26(28(42)17-24(23)25)39-27(14-15-47-5)34(43)38-22-9-6-20(7-10-22)33-35-18-36-40-33/h6-7,9-11,13,16-18,25,27H,8,12,14-15H2,1-5H3,(H,37,41)(H,38,43)(H,39,42)(H,35,36,40)/tInChIKey
YRXNFLATSJEUJY-BDYUSTAISA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(4(1~(H)124triazol5yl)phenyl)butanamide
(S)N(4(1H124triazol3yl)phenyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
110208060
CSCC(C@@H)(C(=O)Nc1ccc(cc1)c1n(nH)cn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N6O6Sc119(41)3725128211629(442)31(453)32(464)30(21)23111326(28(42)1724(23)25)3927(1415475)34(43)38229620(71022)333518364033h679111316182527H8121415H215H3(H3741)(H3843)(H3942)(H353640)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(1H124triazol5yl)phenyl)Lmethioninamide
ZINC000253414814
ZINC253414814
Check stock
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Check stock on Vitas-MAvailable files
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