Vitas-M small molecule compound
3-({1-[4-(butan-2-yl)phenyl]ethyl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK439219
SMILES CCC(c1ccc(cc1)C(NC(=O)C1C2CCC(C1C(=O)O)C2)C)C
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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 C21H29NO3 MW 343.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO3/c1-4-12(2)14-5-7-15(8-6-14)13(3)22-20(23)18-16-9-10-17(11-16)19(18)21(24)25/h5-8,12-13,16-19H,4,9-11H2,1-3H3,(H,22,23)(H,24,25)InChIKey
OFOLNAZBRRZPJO-UHFFFAOYSA-NSynonyms
2(1(4BUTAN2YLPHENYL)ETHYLCARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((1(4(butan2yl)phenyl)ethyl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N((4(METHYLPROPYL)PHENYL)ETHYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2C3CCC(C3)C2C(=O)O
InChI=1SC21H29NO3c1412(2)145715(8614)13(3)2220(23)181691017(1116)19(18)21(24)25h5812131619H4911H213H3(H2223)(H2425)
MFCD02244887
ZINC000239173590
ZINC000239173593
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