Vitas-M small molecule compound
ethyl 2-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL333884
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCC(C2)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 C20H22N2O4S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S2/c1-3-25-19(24)17-14-8-6-12(2)11-15(14)28-18(17)22-20(27)21-16(23)9-7-13-5-4-10-26-13/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H2,21,22,23,27)/b9-7+InChIKey
BHXUWWFCPBQYHB-VQHVLOKHSA-NSynonyms
481642-68-6(E)ethyl2(3(3(furan2yl)acryloyl)thioureido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
481642686
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C=CC3=CC=CO3
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccco2)sc2c1CCC(C2)C
ethyl2((((2E)3(furan2yl)prop2enoyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(furan2yl)prop2enoyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H22N2O4S2c132519(24)17148612(2)1115(14)2818(17)2220(27)2116(23)971354102613h45791012H36811H212H3(H221222327)b97+
MFCD00761333
ZINC000000827357
ZINC000000827359
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