Vitas-M small molecule compound
methyl 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-benzothiophene-2-carboxylate
Catalog ID
STL095829
SMILES COC(=O)c1sc2c(c1S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1C)cccc2
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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 C21H21ClN2O4S2 MW 464.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S2/c1-14-7-8-15(22)13-17(14)23-9-11-24(12-10-23)30(26,27)20-16-5-3-4-6-18(16)29-19(20)21(25)28-2/h3-8,13H,9-12H2,1-2H3InChIKey
BSIBVBPNVVANQP-UHFFFAOYSA-NSynonyms
899725-40-7899725407
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC=C43)C(=O)OC
InChI=1SC21H21ClN2O4S2c1147815(22)1317(14)2391124(121023)30(2627)2016534618(16)2919(20)21(25)282h3813H912H212H3
methyl3((4(5chloro2methylphenyl)piperazin1yl)sulfonyl)1benzothiophene2carboxylate
METHYL3((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)SULFONYL)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3(4(5chloro2methylphenyl)piperazin1yl)sulfonyl1benzothiophene2carboxylate
MFCD08140891
ZINC000009646420
ZINC09646420
ZINC9646420
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