Vitas-M small molecule compound
methyl 2-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK123572
SMILES COC(=O)c1c(NC(=S)NC(=O)/C=C/c2cccs2)sc2c1CCCC2
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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 C18H18N2O3S3 MW 406.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S3/c1-23-17(22)15-12-6-2-3-7-13(12)26-16(15)20-18(24)19-14(21)9-8-11-5-4-10-25-11/h4-5,8-10H,2-3,6-7H2,1H3,(H2,19,20,21,24)/b9-8+InChIKey
BFHAACJLWGPPSI-CMDGGOBGSA-NSynonyms
334503-49-0(E)methyl2(3(3(thiophen2yl)acryloyl)thioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
334503490
COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C=CC3=CC=CS3
COC(=O)c1c(NC(=S)NC(=O)C=Cc2cccs2)sc2c1CCCC2
InChI=1SC18H18N2O3S3c12317(22)1512623713(12)2616(15)2018(24)1914(21)981154102511h45810H2367H21H3(H219202124)b98+
methyl2((((2E)3(thiophen2yl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3thiophen2ylprop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01605040
ZINC000002316385
ZINC02316385
ZINC2316385
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