Vitas-M small molecule compound
ethyl 4-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(thiophen-2-ylcarbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Catalog ID
STK761486
SMILES CCOC(=O)N1CCN(CC1)C(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1cccs1
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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 C22H23N3O6S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6S/c1-2-29-22(28)25-9-7-24(8-10-25)21(27)16(23-20(26)19-4-3-11-32-19)12-15-5-6-17-18(13-15)31-14-30-17/h3-6,11-13H,2,7-10,14H2,1H3,(H,23,26)/b16-12+InChIKey
OVUJFGKZCATGMK-FOWTUZBSSA-NSynonyms
309286-58-6(E)ethyl4(3(benzo(d)(13)dioxol5yl)2(thiophene2carboxamido)acryloyl)piperazine1carboxylate
309286586
CCOC(=O)N1CCN(CC1)C(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1cccs1
CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4
ethyl4((2E)3(13benzodioxol5yl)2((thiophen2ylcarbonyl)amino)prop2enoyl)piperazine1carboxylate
ETHYL4((E)3(13BENZODIOXOL5YL)2(THIOPHENE2CARBONYLAMINO)PROP2ENOYL)PIPERAZINE1CARBOXYLATE
InChI=1SC22H23N3O6Sc122922(28)259724(81025)21(27)16(2320(26)1943113219)1215561718(1315)31143017h361113H271014H21H3(H2326)b1612+
MFCD01852178
ZINC000008425802
ZINC08425802
ZINC8425802
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