Vitas-M small molecule compound

(2Z)-8-(3,4-dimethoxybenzyl)-2-(thiophen-2-ylmethylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one

Catalog ID
STK626908
SMILES COc1cc(ccc1OC)CN1COc2c(C1)c1O/C(=C\c3cccs3)/C(=O)c1cc2

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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 C24H21NO5S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO5S/c1-27-20-7-5-15(10-21(20)28-2)12-25-13-18-19(29-14-25)8-6-17-23(26)22(30-24(17)18)11-16-4-3-9-31-16/h3-11H,12-14H2,1-2H3/b22-11-
InChIKey
UKSDGEDMFMBKQD-JJFYIABZSA-N
Synonyms
951953-41-6
(2Z)8((34dimethoxyphenyl)methyl)2(thiophen2ylmethylidene)79dihydrofuro(23f)(13)benzoxazin3one
(2Z)8(34dimethoxybenzyl)2(thiophen2ylmethylidene)89dihydro7Hfuro(23f)(13)benzoxazin3(2H)one
(Z)8(34dimethoxybenzyl)2(thiophen2ylmethylene)89dihydro2Hbenzofuro(76e)(13)oxazin3(7H)one
951953416
COC1=C(C=C(C=C1)CN2CC3=C(C=CC4=C3OC(=CC5=CC=CS5)C4=O)OC2)OC
COc1cc(ccc1OC)CN1COc2c(C1)c1OC(=Cc3cccs3)C(=O)c1cc2
InChI=1SC24H21NO5Sc127207515(1021(20)282)1225131819(291425)861723(26)22(3024(17)18)11164393116h311H1214H212H3b2211
MFCD09852217
ZINC000013690984
ZINC13690984

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Available files

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