Vitas-M small molecule compound

(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one

Catalog ID
STK793971
SMILES CCCCOc1ccc(cc1)C(=O)/C(=C/c1ccc(c(c1)OC)OCC)/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 C29H29NO5 MW 471.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5/c1-4-6-17-34-22-14-12-21(13-15-22)28(31)23(29-30-24-9-7-8-10-25(24)35-29)18-20-11-16-26(33-5-2)27(19-20)32-3/h7-16,18-19H,4-6,17H2,1-3H3/b23-18-
InChIKey
AVQOXFLZNSCYMC-NKFKGCMQSA-N
Synonyms
494200-65-6
(2E)2(13benzoxazol2yl)1(4butoxyphenyl)3(4ethoxy3methoxyphenyl)prop2en1one
(2E)2BENZOXAZOL2YL1(4BUTOXYPHENYL)3(4ETHOXY3METHOXYPHENYL)PROP2EN1ONE
(E)2(13BENZOXAZOL2YL)1(4BUTOXYPHENYL)3(4ETHOXY3METHOXYPHENYL)PROP2EN1ONE
(E)2(benzo(d)oxazol2yl)1(4butoxyphenyl)3(4ethoxy3methoxyphenyl)prop2en1one
494200656
CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)OCC)OC)C3=NC4=CC=CC=C4O3
CCCCOc1ccc(cc1)C(=O)C(=Cc1ccc(c(c1)OC)OCC)c1nc2c(o1)cccc2
InChI=1SC29H29NO5c146173422141221(131522)28(31)23(2930249781025(24)3529)1820111626(3352)27(1920)323h7161819H4617H213H3b2318
MFCD03301886
ZINC000011990639
ZINC11990639

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Available files

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