Vitas-M small molecule compound

(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK699754
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

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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 C33H22N2O4S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22N2O4S/c1-37-31-16-22(11-13-30(31)38-19-21-7-3-2-4-8-21)15-24(18-34)32-35-28(20-40-32)27-17-26-25-10-6-5-9-23(25)12-14-29(26)39-33(27)36/h2-17,20H,19H2,1H3/b24-15+
InChIKey
JTKGILYBIOKIIY-BUVRLJJBSA-N
Synonyms

(2E)3(4(benzyloxy)3methoxyphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)prop2enenitrile
(E)3(3METHOXY4PHENYLMETHOXYPHENYL)2(4(3OXOBENZO(F)CHROMEN2YL)13THIAZOL2YL)PROP2ENENITRILE
(E)3(4(benzyloxy)3methoxyphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)thiazol2yl)acrylonitrile
3(4(BENZYLOXY)3METHOXYPHENYL)2(4(3OXO3HBENZO(F)CHROMEN2YL)13THIAZOL2YL)ACRYLONITRILE
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)OCC6=CC=CC=C6
InChI=1SC33H22N2O4Sc137311622(111330(31)3819217324821)1524(1834)323528(204032)271726251065923(25)121429(26)3933(27)36h21720H19H21H3b2415+
MFCD01464552
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
ZINC000100744293
ZINC100744293

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Available files

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