Vitas-M small molecule compound
2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STL024087
SMILES COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)O)CCCC3)ccc1OC
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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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-25-14-9-7-12(11-15(14)26-2)8-10-17(22)21-19-18(20(23)24)13-5-3-4-6-16(13)27-19/h7-11H,3-6H2,1-2H3,(H,21,22)(H,23,24)/b10-8+InChIKey
BSIRTWIPKKFSKD-CSKARUKUSA-NSynonyms
112282-18-5(E)2(3(34dimethoxyphenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
112282185
2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(((E)3(34dimethoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O)OC
COc1cc(C=CC(=O)Nc2sc3c(c2C(=O)O)CCCC3)ccc1OC
InChI=1SC20H21NO5Sc125149712(1115(14)262)81017(22)211918(20(23)24)13534616(13)2719h711H36H212H3(H2122)(H2324)b108+
MFCD01911479
ZINC000000704094
ZINC704094
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