Vitas-M small molecule compound
methyl 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylate
Catalog ID
STL100336
SMILES COC(=O)c1sccc1S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1C
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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 C17H19ClN2O4S2 MW 414.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN2O4S2/c1-12-3-4-13(18)11-14(12)19-6-8-20(9-7-19)26(22,23)15-5-10-25-16(15)17(21)24-2/h3-5,10-11H,6-9H2,1-2H3InChIKey
ARYBVMMZNAFURV-UHFFFAOYSA-NSynonyms
895263-11-3895263113
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC
InChI=1SC17H19ClN2O4S2c1123413(18)1114(12)196820(9719)26(2223)155102516(15)17(21)242h351011H69H212H3
methyl3((4(5chloro2methylphenyl)piperazin1yl)sulfonyl)thiophene2carboxylate
methyl3(4(5chloro2methylphenyl)piperazin1yl)sulfonylthiophene2carboxylate
MFCD08140533
ZINC000006915113
ZINC06915113
ZINC6915113
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