Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK570800
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+]1CCOCC1)/[O-])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 C26H31N3O5 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O5/c1-18(2)34-21-8-6-19(7-9-21)24(30)22-23(20-5-3-10-27-17-20)29(26(32)25(22)31)12-4-11-28-13-15-33-16-14-28/h3,5-10,17-18,23,30H,4,11-16H2,1-2H3/b24-22+InChIKey
KSBZPHDYIVZCOR-ZNTNEXAZSA-NSynonyms
370871-20-8(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
370871208
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CN=CC=C4)(O)
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)1CCOCC1)(O))C
InChI=1SC26H31N3O5c118(2)34218619(7921)24(30)2223(205310271720)29(26(32)25(22)31)1241128131533161428h351017182330H41116H212H3b2422+
MFCD09789357
ZINC000102369137
ZINC000102369139
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