Vitas-M small molecule compound

5-benzyl 1-(4-methyl-2-oxo-3-propyl-2H-chromen-7-yl) N-[(benzyloxy)carbonyl]-L-glutamate

Catalog ID
STK716878
SMILES CCCc1c(=O)oc2c(c1C)ccc(c2)OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1

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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 C33H33NO8 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO8/c1-3-10-27-22(2)26-16-15-25(19-29(26)42-31(27)36)41-32(37)28(34-33(38)40-21-24-13-8-5-9-14-24)17-18-30(35)39-20-23-11-6-4-7-12-23/h4-9,11-16,19,28H,3,10,17-18,20-21H2,1-2H3,(H,34,38)/t28-/m0/s1
InChIKey
IVPXZGLCBJAHSS-NDEPHWFRSA-N
Synonyms

5benzyl1(4methyl2oxo3propyl2Hchromen7yl)2(((benzyloxy)carbonyl)amino)pentanedioate
5benzyl1(4methyl2oxo3propyl2Hchromen7yl)N((benzyloxy)carbonyl)Lglutamate
5Obenzyl1O(4methyl2oxo3propylchromen7yl)(2S)2(phenylmethoxycarbonylamino)pentanedioate
CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC1=O)C
CCCc1c(=O)oc2c(c1C)ccc(c2)OC(=O)(C@@H)(NC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1
CCCc1c(=O)oc2c(c1C)ccc(c2)OC(=O)C(NC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1
InChI=1SC33H33NO8c13102722(2)26161525(1929(26)4231(27)36)4132(37)28(3433(38)402124138591424)171830(35)392023116471223h4911161928H31017182021H212H3(H3438)t28m0s1
MFCD10040620
ZINC000102674116
ZINC102674116

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.