Vitas-M small molecule compound
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)amino]prop-2-enenitrile
Catalog ID
STK527212
SMILES CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-2-25-17-6-4-16(5-7-17)23-11-15(10-22)21-24-18(12-28-21)14-3-8-19-20(9-14)27-13-26-19/h3-9,11-12,23H,2,13H2,1H3/b15-11+InChIKey
ZJQQEFWBXHRQSD-RVDMUPIBSA-NSynonyms
374542-74-2(2E)2(4(13benzodioxol5yl)13thiazol2yl)3((4ethoxyphenyl)amino)prop2enenitrile
(E)2(4(13BENZODIOXOL5YL)13THIAZOL2YL)3(4ETHOXYANILINO)PROP2ENENITRILE
(E)2(4(benzo(d)(13)dioxol5yl)thiazol2yl)3((4ethoxyphenyl)amino)acrylonitrile
374542742
CCOC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4
CCOc1ccc(cc1)NC=C(c1scc(n1)c1ccc2c(c1)OCO2)C#N
InChI=1SC21H17N3O3Sc1225176416(5717)231115(1022)212418(122821)14381920(914)27132619h39111223H213H21H3b1511+
MFCD01956578
ZINC000004817117
ZINC04817117
ZINC4817117
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