Vitas-M small molecule compound
ethyl 2-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438560
SMILES CCOC(=O)c1c(NC(=S)Nc2c(C)nn(c2C)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 C20H28N4O2S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S2/c1-5-24-13(4)17(12(3)23-24)21-20(27)22-18-16(19(25)26-6-2)14-10-8-7-9-11-15(14)28-18/h5-11H2,1-4H3,(H2,21,22,27)InChIKey
ZHILJYFZULNBFM-UHFFFAOYSA-NSynonyms
CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)C
ethyl2(((1ethyl35dimethyl1Hpyrazol4yl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((1ethyl35dimethylpyrazol4yl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H28N4O2S2c152413(4)17(12(3)2324)2120(27)221816(19(25)2662)14108791115(14)2818h511H214H3(H2212227)
MFCD03945436
ZINC000006144976
ZINC06144976
ZINC6144976
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