Vitas-M small molecule compound

dimethyl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK467234
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1C)C(=O)OC

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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 C19H17NO7S MW 403.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO7S/c1-10-15(18(22)24-2)17(28-16(10)19(23)25-3)20-14(21)7-5-11-4-6-12-13(8-11)27-9-26-12/h4-8H,9H2,1-3H3,(H,20,21)/b7-5+
InChIKey
YGPZKYVASBMWQJ-FNORWQNLSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc(c1C)C(=O)OC
dimethyl5(((2E)3(13benzodioxol5yl)prop2enoyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC19H17NO7Sc11015(18(22)242)17(2816(10)19(23)253)2014(21)7511461213(811)2792612h48H9H213H3(H2021)b75+
METHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03376040
ZINC000006254227
ZINC06254227
ZINC6254227

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.