Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-({4-[4-(tert-butoxycarbonyl)piperazin-1-yl]-4-oxobutanoyl}amino)propanoic acid
Catalog ID
STK092028
SMILES O=C(NC(c1ccc2c(c1)OCO2)CC(=O)O)CCC(=O)N1CCN(CC1)C(=O)OC(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 C23H31N3O8 MW 477.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O8/c1-23(2,3)34-22(31)26-10-8-25(9-11-26)20(28)7-6-19(27)24-16(13-21(29)30)15-4-5-17-18(12-15)33-14-32-17/h4-5,12,16H,6-11,13-14H2,1-3H3,(H,24,27)(H,29,30)InChIKey
LPRLZLOXKRBFHM-UHFFFAOYSA-NSynonyms
3(13BENZODIOXOL5YL)3((4(4((2METHYLPROPAN2YL)OXYCARBONYL)PIPERAZIN1YL)4OXOBUTANOYL)AMINO)PROPANOICACID
3(13BENZODIOXOL5YL)3((4(4(TERTBUTOXYCARBONYL)PIPERAZIN1YL)4OXOBUTANOYL)AMINO)PROPANOICACID
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3
InChI=1SC23H31N3O8c123(23)3422(31)2610825(91126)20(28)7619(27)2416(1321(29)30)15451718(1215)33143217h451216H6111314H213H3(H2427)(H2930)
MFCD02228700
O=C(NC(c1ccc2c(c1)OCO2)CC(=O)O)CCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
STK092028
ZINC000006075198
ZINC000006075199
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