Vitas-M small molecule compound
(2S)-2-((2S,3R)-2-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxopyrrolidine-3-carboxamido)-3-methylpentanamido)propanoic acid
Catalog ID
STL534932
SMILES CCC([C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)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 C22H29N3O7 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O7/c1-4-12(2)19(21(28)23-13(3)22(29)30)24-20(27)14-9-18(26)25(11-14)15-5-6-16-17(10-15)32-8-7-31-16/h5-6,10,12-14,19H,4,7-9,11H2,1-3H3,(H,23,28)(H,24,27)(H,29,30)/t12?,13-,14?,19-/m0/s1InChIKey
SEFNBRGIKIPITP-AFSSWULLSA-NSynonyms
956818-78-3(2~(S))2(((2~(S))2((1(23dihydro14benzodioxin6yl)5oxopyrrolidine3carbonyl)amino)3methylpentanoyl)amino)propanoicacid
(2S)2((2S3R)2(1(23dihydrobenzo(b)(14)dioxin6yl)5oxopyrrolidine3carboxamido)3methylpentanamido)propanoicacid
16404043
956818783
CCC((C@@H)(C(=O)N(C@H)(C(=O)O)C)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C
InChI=1SC22H29N3O7c1412(2)19(21(28)2313(3)22(29)30)2420(27)14918(26)25(1114)15561617(1015)32873116h5610121419H47911H213H3(H2328)(H2427)(H2930)t12?1314?19m0s1
ZINC000008790292
ZINC000012882608
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