Vitas-M small molecule compound
(S)-2-((2S,3R)-2-((S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-methylpentanamido)-4-methylpentanoic acid
Catalog ID
STL529898
SMILES CCC([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)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 C29H36N4O6 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O6/c1-5-18(4)24(26(35)30-22(28(37)38)15-17(2)3)32-25(34)23(16-19-11-7-6-8-12-19)33-27(36)20-13-9-10-14-21(20)31-29(33)39/h6-14,17-18,22-24H,5,15-16H2,1-4H3,(H,30,35)(H,31,39)(H,32,34)(H,37,38)/t18?,22-,23-,24-/m0/s1InChIKey
LDVRDOBJIVCDOS-DJVBROGYSA-NSynonyms
956826-67-8(2~(S))2(((2~(S))2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)3methylpentanoyl)amino)4methylpentanoicacid
(S)2((2S3R)2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)3METHYLPENTANAMIDO)4METHYLPENTANOICACID
16404632
956826678
InChI=1SC29H36N4O6c1518(4)24(26(35)3022(28(37)38)1517(2)3)3225(34)23(1619117681219)3327(36)20139101421(20)3129(33)39h61417182224H51516H214H3(H3035)(H3139)(H3234)(H3738)t18?222324m0s1
ZINC000070700818
ZINC000070700820
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