Vitas-M small molecule compound
(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK552613
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/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 C29H19BrN2O4S MW 571.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19BrN2O4S/c1-34-27-12-19(7-9-26(27)35-16-18-5-3-2-4-6-18)11-21(15-31)28-32-24(17-37-28)23-14-20-13-22(30)8-10-25(20)36-29(23)33/h2-14,17H,16H2,1H3/b21-11-InChIKey
CKWIFVDVJKCQGD-NHDPSOOVSA-NSynonyms
(2Z)3(4(benzyloxy)3methoxyphenyl)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(Z)2(4(6bromo2oxochromen3yl)13thiazol2yl)3(3methoxy4phenylmethoxyphenyl)prop2enenitrile
(Z)3(4(benzyloxy)3methoxyphenyl)2(4(6bromo2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)OCC5=CC=CC=C5
InChI=1SC29H19BrN2O4Sc134271219(7926(27)3516185324618)1121(1531)283224(173728)2314201322(30)81025(20)3629(23)33h21417H16H21H3b2111
MFCD03671398
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000097966709
ZINC97966709
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