Vitas-M small molecule compound
ethyl 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK374880
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(C)nn(c1Cl)c1ccccc1
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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-3-29-22(28)18-15-11-7-8-12-16(15)30-21(18)24-20(27)17-13(2)25-26(19(17)23)14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,24,27)InChIKey
VLNIKSLHVWIKKV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl
ethyl2(((5chloro3methyl1phenyl1Hpyrazol4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5chloro3methyl1phenylpyrazole4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(5chloro3methyl1phenyl1Hpyrazole4carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC22H22ClN3O3Sc132922(28)181511781216(15)3021(18)2420(27)1713(2)2526(19(17)23)1495461014h46910H3781112H212H3(H2427)
MFCD01062671
ZINC000000867438
ZINC00867438
ZINC867438
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