Vitas-M small molecule compound

trans-4-[({N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-beta-alanyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL520731
SMILES O=C(NC[C@@H]1CC[C@H](CC1)C(=O)O)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C

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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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-14-13-34-21-11-22-19(9-18(14)21)15(2)20(26(33)35-22)10-24(30)27-8-7-23(29)28-12-16-3-5-17(6-4-16)25(31)32/h9,11,13,16-17H,3-8,10,12H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/t16-,17-
InChIKey
LGPWEDBFIDYQAL-QAQDUYKDSA-N
Synonyms

(1r4r)4((3(2(35dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)methyl)cyclohexanecarboxylicacid
InChI=1SC26H30N2O7c114133421112219(918(14)21)15(2)20(26(33)3522)1024(30)278723(29)2812163517(6416)25(31)32h911131617H381012H212H3(H2730)(H2829)(H3132)t1617
MFCD04142566
O=C(NC(C@@H)1CC(C@H)(CC1)C(=O)O)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
trans4(((N((35dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)betaalanyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252694475

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Available files

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