Vitas-M small molecule compound
4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl}amino)butanoic acid
Catalog ID
STL544947
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCC(=O)O)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 C28H35N3O8 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O8/c1-15(28(36)29-12-6-7-24(34)35)30-21-11-9-18-19(14-22(21)33)20(31-16(2)32)10-8-17-13-23(37-3)26(38-4)27(39-5)25(17)18/h9,11,13-15,20H,6-8,10,12H2,1-5H3,(H,29,36)(H,30,33)(H,31,32)(H,34,35)/t15-,20-/m0/s1InChIKey
HUYCARIFFOKWOU-YWZLYKJASA-NSynonyms
110206695
4(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)butanoicacid
4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)amino)butanoicacid
4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)butanoicacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCC(=O)O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC28H35N3O8c115(28(36)29126724(34)35)30211191819(1422(21)33)20(3116(2)32)108171323(373)26(384)27(395)25(17)18h911131520H681012H215H3(H2936)(H3033)(H3132)(H3435)t1520m0s1
ZINC000253404362
ZINC253404362
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