Vitas-M small molecule compound

(2Z)-2-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one

Catalog ID
STK793919
SMILES COc1ccc(cc1)C(=O)/C(=C\c1sccc1C)/c1nc2c(o1)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 C22H17NO3S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17NO3S/c1-14-11-12-27-20(14)13-17(21(24)15-7-9-16(25-2)10-8-15)22-23-18-5-3-4-6-19(18)26-22/h3-13H,1-2H3/b17-13+
InChIKey
UJIXBSFPZDTALY-GHRIWEEISA-N
Synonyms
1164513-70-5
(2Z)2(13benzoxazol2yl)1(4methoxyphenyl)3(3methylthiophen2yl)prop2en1one
(2Z)2BENZOXAZOL2YL1(4METHOXYPHENYL)3(3METHYL(2THIENYL))PROP2EN1ONE
(Z)2(13BENZOXAZOL2YL)1(4METHOXYPHENYL)3(3METHYLTHIOPHEN2YL)PROP2EN1ONE
(Z)2(benzo(d)oxazol2yl)1(4methoxyphenyl)3(3methylthiophen2yl)prop2en1one
(Z)2BENZOOXAZOL2YL1(4METHOXYPHENYL)3(3METHYLTHIOPHEN2YL)PROPENONE
1164513705
CC1=C(SC=C1)C=C(C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)C(=Cc1sccc1C)c1nc2c(o1)cccc2
InChI=1SC22H17NO3Sc11411122720(14)1317(21(24)157916(252)10815)222318534619(18)2622h313H12H3b1713+
MFCD03298622
ZINC000004302699
ZINC04302699
ZINC4302699

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.