Vitas-M small molecule compound
methyl 2-[({1-ethyl-3-[(2-methoxyethyl)carbamoyl]-1H-pyrazol-4-yl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK447359
SMILES COCCNC(=O)c1nn(cc1NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2)CC
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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 C20H27N5O4S2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O4S2/c1-4-25-11-13(16(24-25)17(26)21-9-10-28-2)22-20(30)23-18-15(19(27)29-3)12-7-5-6-8-14(12)31-18/h11H,4-10H2,1-3H3,(H,21,26)(H2,22,23,30)InChIKey
PGUPYVYXEHYLNG-UHFFFAOYSA-NSynonyms
CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC20H27N5O4S2c14251113(16(2425)17(26)21910282)2220(30)231815(19(27)293)12756814(12)3118h11H410H213H3(H2126)(H2222330)
methyl2(((1ethyl3((2methoxyethyl)carbamoyl)1Hpyrazol4yl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1ethyl3(2methoxyethylcarbamoyl)pyrazol4yl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD04059983
ZINC000020215287
ZINC20215287
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