Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK437931
SMILES CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)/C=C/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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-5-15-13(4)28-20(19(15)21(24)27-12(2)3)22-18(23)9-7-14-6-8-16-17(10-14)26-11-25-16/h6-10,12H,5,11H2,1-4H3,(H,22,23)/b9-7+InChIKey
YVHDZQYXQFGXFR-VQHVLOKHSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C
CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC21H23NO5Sc151513(4)2820(19(15)21(24)2712(2)3)2218(23)9714681617(1014)26112516h61012H511H214H3(H2223)b97+
ISOPROPYL2((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)4ETHYL5METHYL3THIOPHENECARBOXYLATE
METHYLETHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD01348876
propan2yl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)4ethyl5methylthiophene3carboxylate
PROPAN2YL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
ZINC000000996231
ZINC00996231
ZINC996231
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