Vitas-M small molecule compound
(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Catalog ID
STK788772
SMILES N#C/C(=C/c1ccc(c(c1)OC)OC)/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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c1-24-17-5-3-13(8-19(17)25-2)7-15(10-22)21-23-16(11-28-21)14-4-6-18-20(9-14)27-12-26-18/h3-9,11H,12H2,1-2H3/b15-7-InChIKey
CRDBEOOJUBSISM-CHHVJCJISA-NSynonyms
374094-00-5(2Z)2(4(13benzodioxol5yl)13thiazol2yl)3(34dimethoxyphenyl)prop2enenitrile
(Z)2(4(13benzodioxol5yl)13thiazol2yl)3(34dimethoxyphenyl)prop2enenitrile
(Z)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3(34dimethoxyphenyl)acrylonitrile
2(4(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL2YL))(2Z)3(34DIMETHOXYPHENYL)PROP2ENENITRILE
374094005
COC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC
InChI=1SC21H16N2O4Sc124175313(819(17)252)715(1022)212316(112821)14461820(914)27122618h3911H12H212H3b157
MFCD01951402
N#CC(=Cc1ccc(c(c1)OC)OC)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000032120412
ZINC32120412
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