Vitas-M small molecule compound
methyl (4Z)-4-{4-[2-(benzylamino)-2-oxoethoxy]benzylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168512
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1ccc(cc1)OCC(=O)NCc1ccccc1
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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 C23H22N2O5 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5/c1-15-21(23(28)29-2)19(22(27)25-15)12-16-8-10-18(11-9-16)30-14-20(26)24-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,26)(H,25,27)/b19-12-InChIKey
KVGIFAYNLSHTBS-UNOMPAQXSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3)C(=O)N1)C(=O)OC
COC(=O)C1=C(C)NC(=O)C1=Cc1ccc(cc1)OCC(=O)NCc1ccccc1
InChI=1SC23H22N2O5c11521(23(28)292)19(22(27)2515)121681018(11916)301420(26)2413176435717h312H1314H212H3(H2426)(H2527)b1912
METHYL(4Z)4((4(2(BENZYLAMINO)2OXOETHOXY)PHENYL)METHYLIDENE)2METHYL5OXO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(4(2(BENZYLAMINO)2OXOETHOXY)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02954499
ZINC000004703019
ZINC04703019
ZINC4703019
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