Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate
Catalog ID
STK432375
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1C)C(=O)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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c1-3-25-19(24)15-10(2)16(17(20)23)28-18(15)21-14(22)7-5-11-4-6-12-13(8-11)27-9-26-12/h4-8H,3,9H2,1-2H3,(H2,20,23)(H,21,22)/b7-5+InChIKey
TWAWIPZISMUIEY-FNORWQNLSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC2=CC3=C(C=C2)OCO3
CCOC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc(c1C)C(=O)N
ethyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)5carbamoyl4methylthiophene3carboxylate
ETHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H18N2O6Sc132519(24)1510(2)16(17(20)23)2818(15)2114(22)7511461213(811)2792612h48H39H212H3(H22023)(H2122)b75+
MFCD01920334
ZINC000000668523
ZINC00668523
ZINC668523
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