Vitas-M small molecule compound

N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucylglycine

Catalog ID
STL548841
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCC(=O)O)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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-15(2)11-22(29(37)30-14-25(35)36)32-21-10-8-18-19(13-23(21)34)20(31-16(3)33)9-7-17-12-24(38-4)27(39-5)28(40-6)26(17)18/h8,10,12-13,15,20,22H,7,9,11,14H2,1-6H3,(H,30,37)(H,31,33)(H,32,34)(H,35,36)/t20-,22-/m0/s1
InChIKey
HAWQOGXSHZKVGM-UNMCSNQZSA-N
Synonyms

121541558
2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)aceticacid
2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)aceticacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC29H37N3O8c115(2)1122(29(37)301425(35)36)32211081819(1323(21)34)20(3116(3)33)97171224(384)27(395)28(406)26(17)18h8101213152022H791114H216H3(H3037)(H3133)(H3234)(H3536)t2022m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucylglycine
ZINC000263585289
ZINC263585289

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Available files

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