Vitas-M small molecule compound

N-[5-(acetylamino)-2-methoxyphenyl]-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucinamide

Catalog ID
STL511601
SMILES CCC(C(C(=O)Nc1cc(ccc1OC)NC(=O)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C36H44N4O8 MW 660.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O8/c1-9-19(2)33(36(44)40-28-17-23(37-20(3)41)11-15-30(28)45-5)39-27-14-12-24-25(18-29(27)43)26(38-21(4)42)13-10-22-16-31(46-6)34(47-7)35(48-8)32(22)24/h11-12,14-19,26,33H,9-10,13H2,1-8H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
InChIKey
QJYABHDZOYUHFZ-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5acetamido2methoxyphenyl)3methylpentanamide
~(N)(5acetamido2methoxyphenyl)2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanamide
135638030
CC(C@H)((C@@H)(C(=O)Nc1cc(ccc1OC)NC(=O)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H44N4O8c1919(2)33(36(44)40281723(3720(3)41)111530(28)455)392714122425(1829(27)43)26(3821(4)42)1310221631(466)34(477)35(488)32(22)24h111214192633H91013H218H3(H3741)(H3842)(H3943)(H4044)
MFCD31751721
N(5(acetylamino)2methoxyphenyl)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucinamide
ZINC001076000422
ZINC001565520286

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.