Vitas-M small molecule compound
[4-(3-chlorophenyl)piperazin-1-yl](3,4-diethoxyphenyl)methanethione
Catalog ID
STK795729
SMILES CCOc1cc(ccc1OCC)C(=S)N1CCN(CC1)c1cccc(c1)Cl
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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 C21H25ClN2O2S MW 404.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O2S/c1-3-25-19-9-8-16(14-20(19)26-4-2)21(27)24-12-10-23(11-13-24)18-7-5-6-17(22)15-18/h5-9,14-15H,3-4,10-13H2,1-2H3InChIKey
CLLAQFBJVKLCMP-UHFFFAOYSA-NSynonyms
(4(3chlorophenyl)piperazin1yl)(34diethoxyphenyl)methanethione
CCOC1=C(C=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)OCC
InChI=1SC21H25ClN2O2Sc1325199816(1420(19)2642)21(27)24121023(111324)1875617(22)1518h591415H341013H212H3
MFCD05855913
ZINC000001077634
ZINC01077634
ZINC1077634
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