Vitas-M small molecule compound
methyl 2-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK772869
SMILES COC(=O)c1c(NC(=S)NC(=O)c2n(C)nc(c2Cl)C)sc2c1CCCCCC2
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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 C19H23ClN4O3S2 MW 455.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O3S2/c1-10-14(20)15(24(2)23-10)16(25)21-19(28)22-17-13(18(26)27-3)11-8-6-4-5-7-9-12(11)29-17/h4-9H2,1-3H3,(H2,21,22,25,28)InChIKey
WCPUPKBTECJLHE-UHFFFAOYSA-NSynonyms
956453-91-1956453911
CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C
InChI=1SC19H23ClN4O3S2c11014(20)15(24(2)2310)16(25)2119(28)221713(18(26)273)1186457912(11)2917h49H213H3(H221222528)
methyl2((((4chloro13dimethyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4chloro25dimethylpyrazole3carbonyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(4chloro13dimethyl1Hpyrazole5carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03820908
ZINC000003626555
ZINC03626555
ZINC3626555
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