Vitas-M small molecule compound
3-[(4-methylpiperazin-1-yl)carbamoyl]-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK466752
SMILES CN1CCN(CC1)NC(=O)C1C2CCC(C1C(=O)O)C2=C(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 C17H27N3O3 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27N3O3/c1-10(2)13-11-4-5-12(13)15(17(22)23)14(11)16(21)18-20-8-6-19(3)7-9-20/h11-12,14-15H,4-9H2,1-3H3,(H,18,21)(H,22,23)InChIKey
CDEOFGHMHCLJDG-UHFFFAOYSA-NSynonyms
2((4methylpiperazin1yl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((4methylpiperazin1yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
7(METHYLETHYLIDENE)3(N(4METHYLPIPERAZINYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC(=C1C2CCC1C(C2C(=O)NN3CCN(CC3)C)C(=O)O)C
InChI=1SC17H27N3O3c110(2)13114512(13)15(17(22)23)14(11)16(21)18208619(3)7920h11121415H49H213H3(H1821)(H2223)
MFCD06066378
ZINC000102329561
ZINC000239030625
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