Vitas-M small molecule compound
(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]prop-2-enenitrile
Catalog ID
STK803740
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCC(=O)c1ccccc1)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O
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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 C30H19BrN2O5S MW 599.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H19BrN2O5S/c1-36-28-12-18(7-9-27(28)37-16-25(34)19-5-3-2-4-6-19)11-21(15-32)29-33-24(17-39-29)23-14-20-13-22(31)8-10-26(20)38-30(23)35/h2-14,17H,16H2,1H3/b21-11-InChIKey
MWBQGZZMJDRQCN-NHDPSOOVSA-NSynonyms
(2Z)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)3(3methoxy4(2oxo2phenylethoxy)phenyl)prop2enenitrile
(Z)2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)3(3methoxy4(2oxo2phenylethoxy)phenyl)acrylonitrile
(Z)2(4(6bromo2oxochromen3yl)13thiazol2yl)3(3methoxy4phenacyloxyphenyl)prop2enenitrile
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)OCC(=O)C5=CC=CC=C5
InChI=1SC30H19BrN2O5Sc136281218(7927(28)371625(34)195324619)1121(1532)293324(173929)2314201322(31)81026(20)3830(23)35h21417H16H21H3b2111
MFCD03670218
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)c1ccccc1)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000097968883
ZINC97968883
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