Vitas-M small molecule compound
methyl 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK730666
SMILES COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)OC)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 C22H24N2O5S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S2/c1-27-15-10-8-13(12-16(15)28-2)9-11-18(25)23-22(30)24-20-19(21(26)29-3)14-6-4-5-7-17(14)31-20/h8-12H,4-7H2,1-3H3,(H2,23,24,25,30)/b11-9+InChIKey
LTZDKJNSPHCLJH-PKNBQFBNSA-NSynonyms
370574-89-3(E)methyl2(3(3(34dimethoxyphenyl)acryloyl)thioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
370574893
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC
COc1cc(C=CC(=O)NC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC
InChI=1SC22H24N2O5S2c1271510813(1216(15)282)91118(25)2322(30)242019(21(26)293)14645717(14)3120h812H47H213H3(H223242530)b119+
methyl2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01605037
ZINC000002316540
ZINC02316540
ZINC2316540
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