Vitas-M small molecule compound
ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK972408
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2nn(cc2Br)CC)sc2c1CCCCC2
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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 C19H23BrN4O3S2 MW 499.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O3S2/c1-3-24-10-12(20)15(23-24)16(25)21-19(28)22-17-14(18(26)27-4-2)11-8-6-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,21,22,25,28)InChIKey
LTFYFGBOJBPBAI-UHFFFAOYSA-NSynonyms
492424-84-7492424847
CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)Br
ethyl2((((4bromo1ethyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4bromo1ethylpyrazole3carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H23BrN4O3S2c13241012(20)15(2324)16(25)2119(28)221714(18(26)2742)118657913(11)2917h10H39H212H3(H221222528)
MFCD02604757
ZINC000000647825
ZINC00647825
ZINC647825
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