Vitas-M small molecule compound
2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK446885
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)/C=C/c1ccc2c(c1)OCO2)(C)C
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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 C24H28N2O4S MW 440.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O4S/c1-4-24(2,3)15-7-8-16-19(12-15)31-23(21(16)22(25)28)26-20(27)10-6-14-5-9-17-18(11-14)30-13-29-17/h5-6,9-11,15H,4,7-8,12-13H2,1-3H3,(H2,25,28)(H,26,27)/b10-6+InChIKey
YPRUJQAKQPGJSV-UXBLZVDNSA-NSynonyms
2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxamide
2(((E)3(13benzodioxol5yl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxamide
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC4=C(C=C3)OCO4
CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)C=Cc1ccc2c(c1)OCO2)(C)C
InChI=1SC24H28N2O4Sc1424(23)15781619(1215)3123(21(16)22(25)28)2620(27)10614591718(1114)30132917h5691115H4781213H213H3(H22528)(H2627)b106+
MFCD01192052
ZINC000000995634
ZINC000000995636
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