Vitas-M small molecule compound
trans-4-[({2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid
Catalog ID
STL529609
SMILES CC(C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)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 C28H30ClNO6 MW 512.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO6/c1-16-21-13-23(29)25(14-24(21)36-28(34)22(16)12-18-6-4-3-5-7-18)35-17(2)26(31)30-15-19-8-10-20(11-9-19)27(32)33/h3-7,13-14,17,19-20H,8-12,15H2,1-2H3,(H,30,31)(H,32,33)/t17?,19-,20-InChIKey
SAUWKXGLBXTEBC-DASMUKNDSA-NSynonyms
(1r4r)4((2((3benzyl6chloro4methyl2oxo2Hchromen7yl)oxy)propanamido)methyl)cyclohexanecarboxylicacid
CC(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1
InChI=1SC28H30ClNO6c116211323(29)25(1424(21)3628(34)22(16)12186435718)3517(2)26(31)30151981020(11919)27(32)33h371314171920H81215H212H3(H3031)(H3233)t17?1920
MFCD05672772
trans4(((2((3benzyl6chloro4methyl2oxo2Hchromen7yl)oxy)propanoyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000253387662
ZINC000253387663
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