Vitas-M small molecule compound

6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl N-[(benzyloxy)carbonyl]-beta-alaninate

Catalog ID
STK581964
SMILES O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CCNC(=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 C24H18ClNO7 MW 467.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClNO7/c25-15-6-7-17-19(10-15)33-20-12-16(11-18(27)22(20)23(17)29)32-21(28)8-9-26-24(30)31-13-14-4-2-1-3-5-14/h1-7,10-12,27H,8-9,13H2,(H,26,30)
InChIKey
CRZANHWSSOIXKR-UHFFFAOYSA-N
Synonyms
898923-13-2
(6chloro1hydroxy9oxoxanthen3yl)3(phenylmethoxycarbonylamino)propanoate
6chloro1hydroxy9oxo9Hxanthen3yl3(((benzyloxy)carbonyl)amino)propanoate
6chloro1hydroxy9oxo9Hxanthen3ylN((benzyloxy)carbonyl)betaalaninate
898923132
C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O
InChI=1SC24H18ClNO7c2515671719(1015)33201216(1118(27)22(20)23(17)29)3221(28)892624(30)3113144213514h17101227H8913H2(H2630)
MFCD07639874
ZINC000009129240
ZINC09129240
ZINC9129240

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Available files

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