Vitas-M small molecule compound

methyl 4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)butanoate

Catalog ID
STL548607
SMILES CSCC[C@@H](C(=O)NCCCC(=O)OC)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 C31H41N3O8S MW 615.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8S/c1-18(35)33-22-11-9-19-16-26(39-2)29(41-4)30(42-5)28(19)20-10-12-23(25(36)17-21(20)22)34-24(13-15-43-6)31(38)32-14-7-8-27(37)40-3/h10,12,16-17,22,24H,7-9,11,13-15H2,1-6H3,(H,32,38)(H,33,35)(H,34,36)/t22-,24-/m0/s1
InChIKey
NBMKPCAGCJBIDU-UPVQGACJSA-N
Synonyms

110207811
CSCC(C@@H)(C(=O)NCCCC(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H41N3O8Sc118(35)3322119191626(392)29(414)30(425)28(19)20101223(25(36)1721(20)22)3424(1315436)31(38)32147827(37)403h101216172224H79111315H216H3(H3238)(H3335)(H3436)t2224m0s1
methyl4(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)butanoate
methyl4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)butanoate
methyl4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)butanoate
ZINC000253410257
ZINC253410257

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Available files

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