Vitas-M small molecule compound
N-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valyl-L-alanine
Catalog ID
STL529648
SMILES CC([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 C21H27N3O7 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O7/c1-11(2)18(20(27)22-12(3)21(28)29)23-19(26)13-8-17(25)24(10-13)14-4-5-15-16(9-14)31-7-6-30-15/h4-5,9,11-13,18H,6-8,10H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)/t12-,13?,18-/m0/s1InChIKey
YMHUCMAAVNQRAK-DJFSAPFSSA-NSynonyms
956999-29-4(2~(S))2(((2~(S))2((1(23dihydro14benzodioxin6yl)5oxopyrrolidine3carbonyl)amino)3methylbutanoyl)amino)propanoicacid
(2S)2((2S)2(1(23dihydrobenzo(b)(14)dioxin6yl)5oxopyrrolidine3carboxamido)3methylbutanamido)propanoicacid
16403973
956999294
CC((C@@H)(C(=O)N(C@H)(C(=O)O)C)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C
InChI=1SC21H27N3O7c111(2)18(20(27)2212(3)21(28)29)2319(26)13817(25)24(1013)14451516(914)31763015h459111318H6810H213H3(H2227)(H2326)(H2829)t1213?18m0s1
MFCD06765787
N((1(23dihydro14benzodioxin6yl)5oxopyrrolidin3yl)carbonyl)LvalylLalanine
ZINC000012882324
ZINC000012882331
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