Vitas-M small molecule compound
2,6-dimethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-(acetylamino)benzenesulfonate
Catalog ID
STL383953
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)OC)C(=S)N1CCCC1
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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 C21H24N2O6S2 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O6S2/c1-14(24)22-16-6-8-17(9-7-16)31(25,26)29-20-18(27-2)12-15(13-19(20)28-3)21(30)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)InChIKey
CNESKGWMGOBBLA-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4ACETAMIDOBENZENESULFONATE
26dimethoxy4(pyrrolidin1ylcarbonothioyl)phenyl4(acetylamino)benzenesulfonate
26DIMETHOXY4(PYRROLIDIN1YLCARBOTHIOYL)PHENYL4(ACETYLAMINO)BENZENESULFONATE
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCC3)OC
InChI=1SC21H24N2O6S2c114(24)22166817(9716)31(2526)292018(272)1215(1319(20)283)21(30)2310451123h691213H451011H213H3(H2224)
MFCD03698731
ZINC000002142429
ZINC02142429
ZINC2142429
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