Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[4-(benzyloxy)-3-methoxyphenyl]prop-2-enenitrile
Catalog ID
STK844650
SMILES N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1ccc2c(c1)OCO2
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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 C27H20N2O4S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4S/c1-30-25-12-19(7-9-23(25)31-15-18-5-3-2-4-6-18)11-21(14-28)27-29-22(16-34-27)20-8-10-24-26(13-20)33-17-32-24/h2-13,16H,15,17H2,1H3/b21-11-InChIKey
XZEKGTHSBKTGEN-NHDPSOOVSA-NSynonyms
477296-29-0(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3(4(benzyloxy)3methoxyphenyl)prop2enenitrile
(Z)2(4(13benzodioxol5yl)13thiazol2yl)3(3methoxy4phenylmethoxyphenyl)prop2enenitrile
(Z)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(4(benzyloxy)3methoxyphenyl)acrylonitrile
477296290
COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5
InChI=1SC27H20N2O4Sc130251219(7923(25)3115185324618)1121(1428)272922(163427)208102426(1320)33173224h21316H1517H21H3b2111
MFCD03672045
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000031906016
ZINC31906016
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