Vitas-M small molecule compound
(2Z)-2-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-benzothiophen-3(2H)-one
Catalog ID
STK362302
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2
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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 C24H19NO5S MW 433.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19NO5S/c1-2-29-21-13-17(14-23-24(26)19-5-3-4-6-22(19)31-23)9-12-20(21)30-15-16-7-10-18(11-8-16)25(27)28/h3-14H,2,15H2,1H3/b23-14-InChIKey
RHNBRQVHDQNTMP-UCQKPKSFSA-NSynonyms
(2Z)2((3ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2Z)2(3ETHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
CCOC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)OCC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1Sc2c(C1=O)cccc2
InChI=1SC24H19NO5Sc1229211317(142324(26)19534622(19)3123)91220(21)30151671018(11816)25(27)28h314H215H21H3b2314
MFCD01045736
ZINC000015018650
ZINC15018650
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