Vitas-M small molecule compound
ethyl 4-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Catalog ID
STL314872
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)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 C23H27N3O6 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O6/c1-4-30-23(29)20-14(2)19(15(3)24-20)22(28)26-11-9-25(10-12-26)21(27)18-13-31-16-7-5-6-8-17(16)32-18/h5-8,18,24H,4,9-13H2,1-3H3InChIKey
IIYNSOMSEKDFDZ-UHFFFAOYSA-NSynonyms
1574412-10-41574412104
CCOC(=O)c1(nH)c(c(c1C)C(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)C
CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C
ethyl4((4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)carbonyl)35dimethyl1Hpyrrole2carboxylate
ethyl4(4(23dihydro14benzodioxine3carbonyl)piperazine1carbonyl)35dimethyl1Hpyrrole2carboxylate
ethyl4(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazine1carbonyl)35dimethyl1Hpyrrole2carboxylate
InChI=1SC23H27N3O6c143023(29)2014(2)19(15(3)2420)22(28)2611925(101226)21(27)18133116756817(16)3218h581824H4913H213H3
MFCD28026925
ZINC000095476644
ZINC000095476645
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