Vitas-M small molecule compound

3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl N-[(benzyloxy)carbonyl]-beta-alaninate

Catalog ID
STL515215
SMILES O=C(OCc1ccccc1)NCCC(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1

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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 C29H27NO6 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6/c1-19-15-24(35-26(31)13-14-30-29(33)34-18-22-11-7-4-8-12-22)27-20(2)23(28(32)36-25(27)16-19)17-21-9-5-3-6-10-21/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,33)
InChIKey
SRTLYAFFUJPSAE-UHFFFAOYSA-N
Synonyms
858745-98-9
(3BENZYL47DIMETHYL2OXOCHROMEN5YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
1798988
3BENZYL47DIMETHYL2OXO2HCHROMEN5YL3(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
3benzyl47dimethyl2oxo2Hchromen5ylN((benzyloxy)carbonyl)betaalaninate
858745989
InChI=1SC29H27NO6c1191524(3526(31)13143029(33)341822117481222)2720(2)23(28(32)3625(27)1619)172195361021h3121516H13141718H212H3(H3033)
MFCD03850658
ZINC000002146906
ZINC2146906

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Available files

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