Vitas-M small molecule compound

N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}glycyl-D-valine

Catalog ID
STK921458
SMILES O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2)NCC(=O)N[C@@H](C(=O)O)C(C)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 C24H30N2O8 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O8/c1-12(2)21(23(30)31)26-17(27)10-25-18(28)11-32-16-9-15-14(6-7-24(4,5)34-15)22-20(16)13(3)8-19(29)33-22/h8-9,12,21H,6-7,10-11H2,1-5H3,(H,25,28)(H,26,27)(H,30,31)/t21-/m1/s1
InChIKey
YPKACPZKZPTAFQ-OAQYLSRUSA-N
Synonyms

(2R)3methyl2((2((2((488trimethyl2oxo910dihydropyrano(23h)chromen5yl)oxy)acetyl)amino)acetyl)amino)butanoicacid
(S)3methyl2(2(2((488trimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetamido)acetamido)butanoicacid
CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NCC(=O)NC(C(C)C)C(=O)O)(C)C
InChI=1SC24H30N2O8c112(2)21(23(30)31)2617(27)102518(28)11321691514(6724(45)3415)2220(16)13(3)819(29)3322h891221H671011H215H3(H2528)(H2627)(H3031)t21m1s1
N(((488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)glycylDvaline
O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2)NCC(=O)N(C@@H)(C(=O)O)C(C)C
O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2)NCC(=O)N(C@H)(C(=O)O)C(C)C
ZINC000011865540
ZINC11865540

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Available files

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