Vitas-M small molecule compound
methyl 4-{(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate
Catalog ID
STK844535
SMILES N#C/C(=C/c1ccc(cc1)C(=O)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 C21H14N2O4S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O4S/c1-25-21(24)14-4-2-13(3-5-14)8-16(10-22)20-23-17(11-28-20)15-6-7-18-19(9-15)27-12-26-18/h2-9,11H,12H2,1H3/b16-8-InChIKey
MPQSEWDDBGAYDD-PXNMLYILSA-NSynonyms
683250-10-4(Z)methyl4(2(4(benzo(d)(13)dioxol5yl)thiazol2yl)2cyanovinyl)benzoate
683250104
COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
InChI=1SC21H14N2O4Sc12521(24)144213(3514)816(1022)202317(112820)15671819(915)27122618h2911H12H21H3b168
methyl4((Z)2(4(13benzodioxol5yl)13thiazol2yl)2cyanoethenyl)benzoate
MFCD03671054
N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc2c(c1)OCO2
ZINC000031906005
ZINC31906005
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