Vitas-M small molecule compound
4-{(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}phenyl acetate
Catalog ID
STK843902
SMILES N#C/C(=C/c1ccc(cc1)OC(=O)C)/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 C21H14N2O4S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O4S/c1-13(24)27-17-5-2-14(3-6-17)8-16(10-22)21-23-18(11-28-21)15-4-7-19-20(9-15)26-12-25-19/h2-9,11H,12H2,1H3/b16-8-InChIKey
XDELDWVQNCRZNJ-PXNMLYILSA-NSynonyms
477296-40-5(4((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)phenyl)acetate
(Z)4(2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)phenylacetate
4((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)phenylacetate
477296405
CC(=O)OC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
InChI=1SC21H14N2O4Sc113(24)27175214(3617)816(1022)212318(112821)15471920(915)26122519h2911H12H21H3b168
MFCD03671906
N#CC(=Cc1ccc(cc1)OC(=O)C)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000031906014
ZINC31906014
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