Vitas-M small molecule compound
(2S,3S)-3-hydroxy-2-((S)-2-((S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)propanamido)butanoic acid
Catalog ID
STL530261
SMILES O=C([C@@H](NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2)C)N[C@H](C(=O)O)C(O)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 C26H27N5O7 MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O7/c1-13(22(33)30-21(14(2)32)25(36)37)28-23(34)20(11-15-12-27-18-9-5-3-7-16(15)18)31-24(35)17-8-4-6-10-19(17)29-26(31)38/h3-10,12-14,20-21,27,32H,11H2,1-2H3,(H,28,34)(H,29,38)(H,30,33)(H,36,37)/t13-,14?,20-,21-/m0/s1InChIKey
JZZOGGANLSAZTC-IMSILIBVSA-NSynonyms
956817-54-2(2~(S))2(((2~(S))2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3(1~(H)indol3yl)propanoyl)amino)propanoyl)amino)3hydroxybutanoicacid
(2S3S)2((S)2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3(1HINDOL3YL)PROPANAMIDO)PROPANAMIDO)3HYDROXYBUTANOICACID
16403787
956817542
InChI=1SC26H27N5O7c113(22(33)3021(14(2)32)25(36)37)2823(34)20(1115122718953716(15)18)3124(35)178461019(17)2926(31)38h310121420212732H11H212H3(H2834)(H2938)(H3033)(H3637)t1314?2021m0s1
MFCD07201256
ZINC000070699380
ZINC000070699383
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