Vitas-M small molecule compound
2-{[(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbonyl]amino}ethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK809659
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1sc2c(c1C(=O)N)CCCC2
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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 C20H21Cl3N4O3S2 MW 535.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl3N4O3S2/c1-30-11-8-6-10(7-9-11)16(29)25-18(20(21,22)23)27-19(31)26-17-14(15(24)28)12-4-2-3-5-13(12)32-17/h6-9,18H,2-5H2,1H3,(H2,24,28)(H,25,29)(H2,26,27,31)InChIKey
YKVVBTNWFIYKQD-UHFFFAOYSA-NSynonyms
2(((222trichloro1(((4methoxyphenyl)carbonyl)amino)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((222trichloro1((4methoxybenzoyl)amino)ethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxamide
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI=1SC20H21Cl3N4O3S2c130118610(7911)16(29)2518(20(2122)23)2719(31)261714(15(24)28)12423513(12)3217h6918H25H21H3(H22428)(H2529)(H2262731)
MFCD00548603
ZINC000004177500
ZINC000004177501
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