Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate
Catalog ID
STK450426
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1C)C(=O)N)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 C20H20N2O6S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S/c1-10(2)28-20(25)16-11(3)17(18(21)24)29-19(16)22-15(23)7-5-12-4-6-13-14(8-12)27-9-26-13/h4-8,10H,9H2,1-3H3,(H2,21,24)(H,22,23)/b7-5+InChIKey
CYAOXBALJOIVRY-FNORWQNLSA-NSynonyms
CC(OC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc(c1C)C(=O)N)C
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)N
InChI=1SC20H20N2O6Sc110(2)2820(25)1611(3)17(18(21)24)2919(16)2215(23)7512461314(812)2792613h4810H9H213H3(H22124)(H2223)b75+
METHYLETHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
MFCD06758164
propan2yl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)5carbamoyl4methylthiophene3carboxylate
propan2yl2(((E)3(13benzodioxol5yl)prop2enoyl)amino)5carbamoyl4methylthiophene3carboxylate
ZINC000017090576
ZINC17090576
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