Vitas-M small molecule compound
2-{2-ethoxy-4-[(4-ethylpiperazin-1-yl)carbonothioyl]phenoxy}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK147838
SMILES CCOc1cc(ccc1OCC(=O)N1CCCC1)C(=S)N1CCN(CC1)CC
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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 C21H31N3O3S MW 405.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O3S/c1-3-22-11-13-24(14-12-22)21(28)17-7-8-18(19(15-17)26-4-2)27-16-20(25)23-9-5-6-10-23/h7-8,15H,3-6,9-14,16H2,1-2H3InChIKey
LCKPGIITOXPRTK-UHFFFAOYSA-NSynonyms
2(2ETHOXY4((4ETHYLPIPERAZIN1YL)CARBONOTHIOYL)PHENOXY)1(PYRROLIDIN1YL)ETHANONE
2(2ETHOXY4(4ETHYLPIPERAZINE1CARBOTHIOYL)PHENOXY)1PYRROLIDIN1YLETHANONE
CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)N3CCCC3)OCC
InChI=1SC21H31N3O3Sc1322111324(141222)21(28)177818(19(1517)2642)271620(25)239561023h7815H3691416H212H3
MFCD04361531
ZINC000004689041
ZINC4689041
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