Vitas-M small molecule compound
2-({[(3S)-3-(methoxycarbonyl)-2,2,3-trimethylcyclopentyl]carbonyl}amino)benzoic acid
Catalog ID
STK674089
SMILES COC(=O)[C@@]1(C)CCC(C1(C)C)C(=O)Nc1ccccc1C(=O)O
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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 C18H23NO5 MW 333.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO5/c1-17(2)12(9-10-18(17,3)16(23)24-4)14(20)19-13-8-6-5-7-11(13)15(21)22/h5-8,12H,9-10H2,1-4H3,(H,19,20)(H,21,22)/t12?,18-/m1/s1InChIKey
WXPJXQQFUOLUBZ-VMHBGOFLSA-NSynonyms
2((((3S)3(methoxycarbonyl)223trimethylcyclopentyl)carbonyl)amino)benzoicacid
2(((3S)3(METHOXYCARBONYL)223TRIMETHYLCYCLOPENTYL)CARBONYLAMINO)BENZOICACID
2(((3S)3METHOXYCARBONYL223TRIMETHYLCYCLOPENTANECARBONYL)AMINO)BENZOICACID
CC1(C(CCC1(C)C(=O)OC)C(=O)NC2=CC=CC=C2C(=O)O)C
COC(=O)(C@@)1(C)CCC(C1(C)C)C(=O)Nc1ccccc1C(=O)O
InChI=1SC18H23NO5c117(2)12(91018(173)16(23)244)14(20)1913865711(13)15(21)22h5812H910H214H3(H1920)(H2122)t12?18m1s1
MFCD18246856
ZINC000000036753
ZINC000000036755
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