Vitas-M small molecule compound
3-[(3-methoxyphenyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-ene-2-carboxylic acid
Catalog ID
STK039816
SMILES COc1cccc(c1)NC(=O)C1C(C(=O)O)C2C3(C1C=C2)CC3
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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 C18H19NO4 MW 313.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4/c1-23-11-4-2-3-10(9-11)19-16(20)14-12-5-6-13(15(14)17(21)22)18(12)7-8-18/h2-6,9,12-15H,7-8H2,1H3,(H,19,20)(H,21,22)InChIKey
LYJUWOLHXJASTH-UHFFFAOYSA-NSynonyms
(1S4R5R6S)6((3methoxyphenyl)carbamoyl)spiro(bicyclo(221)hept(2)ene71cyclopropane)5carboxylicacid
2((3METHOXYPHENYL)CARBAMOYL)SPIRO(BICYCLO(221)HEPT5ENE71CYCLOPROPANE)3CARBOXYLICACID
3((3METHOXYANILINO)CARBONYL)SPIRO(BICYCLO(221)HEPT(5)ENE71CYCLOPROPANE)2CARBOXYLICACID
3((3METHOXYPHENYL)CARBAMOYL)SPIRO(BICYCLO(221)HEPTANE71CYCLOPROPANE)5ENE2CARBOXYLICACID
COC1=CC=CC(=C1)NC(=O)C2C3C=CC(C2C(=O)O)C34CC4
COc1cccc(c1)NC(=O)(C@@H)1C(C(=O)O)C2C3(C1C=C2)CC3
COc1cccc(c1)NC(=O)C1C(C(=O)O)C2C3(C1C=C2)CC3
InChI=1SC18H19NO4c1231142310(911)1916(20)14125613(15(14)17(21)22)18(12)7818h2691215H78H21H3(H1920)(H2122)
MFCD00843754
STK039816
ZINC000100373470
ZINC000101749147
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.