Vitas-M small molecule compound

(2S)-2-{[(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetyl]amino}propyl 4-methoxybenzoate

Catalog ID
STL466289
SMILES COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)N[C@H](COC(=O)c1ccc(cc1)OC)C)c(=O)o2

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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 C29H33NO8 MW 523.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO8/c1-16(15-36-27(32)18-7-9-19(34-5)10-8-18)30-24(31)13-21-17(2)25-23(35-6)14-22-20(26(25)37-28(21)33)11-12-29(3,4)38-22/h7-10,14,16H,11-13,15H2,1-6H3,(H,30,31)/t16-/m0/s1
InChIKey
ZKMITSFVTQIBRU-INIZCTEOSA-N
Synonyms
1014080-85-3
((2S)2((2(5methoxy488trimethyl2oxo910dihydropyrano(23h)chromen3yl)acetyl)amino)propyl)4methoxybenzoate
(2S)2(((5methoxy488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen3yl)acetyl)amino)propyl4methoxybenzoate
(S)2(2(5methoxy488trimethyl2oxo28910tetrahydropyrano(23f)chromen3yl)acetamido)propyl4methoxybenzoate
1014080853
CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OC)(C)C)CC(=O)NC(C)COC(=O)C4=CC=C(C=C4)OC
COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)N(C@H)(COC(=O)c1ccc(cc1)OC)C)c(=O)o2
InChI=1SC29H33NO8c116(153627(32)187919(345)10818)3024(31)132117(2)2523(356)142220(26(25)3728(21)33)111229(34)3822h7101416H111315H216H3(H3031)t16m0s1
ZINC000012902164
ZINC12902164

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Available files

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