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-benzyl-L-isoleucinamide
Catalog ID
STL540208
SMILES CC[C@H]([C@@H](C(=O)NCc1ccccc1)Nc1ccc2c(cc1=O)[C@H](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 C34H41N3O6 MW 587.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O6/c1-7-20(2)31(34(40)35-19-22-11-9-8-10-12-22)37-27-16-14-24-25(18-28(27)39)26(36-21(3)38)15-13-23-17-29(41-4)32(42-5)33(43-6)30(23)24/h8-12,14,16-18,20,26,31H,7,13,15,19H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t20-,26+,31+/m1/s1InChIKey
CLMFHKYNKTZXQY-JLNKLKRXSA-NSynonyms
1574467-88-1(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)benzyl3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nbenzyl3methylpentanamide
1574467881
71825490
CC(C@H)((C@@H)(C(=O)NCc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H41N3O6c1720(2)31(34(40)3519221198101222)372716142425(1828(27)39)26(3621(3)38)1513231729(414)32(425)33(436)30(23)24h812141618202631H7131519H216H3(H3540)(H3638)(H3739)t2026+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NbenzylLisoleucinamide
ZINC000097972107
ZINC97972107
Check stock
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Check stock on Vitas-MAvailable files
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