Vitas-M small molecule compound
1-[(2S)-1-(4-acetylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
Catalog ID
STK650525
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)C(=O)C)NC(=O)NC1CCS(=O)(=O)C1)C
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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 C17H30N4O5S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H30N4O5S/c1-4-12(2)15(16(23)21-8-6-20(7-9-21)13(3)22)19-17(24)18-14-5-10-27(25,26)11-14/h12,14-15H,4-11H2,1-3H3,(H2,18,19,24)/t12-,14?,15+/m1/s1InChIKey
PHDVGKDGWODJPJ-ATFAPYMMSA-NSynonyms
1212441-86-51((2S)1(4acetylpiperazin1yl)3methyl1oxopentan2yl)3(11dioxidotetrahydrothiophen3yl)urea
1((2S3R)1(4acetylpiperazin1yl)3methyl1oxopentan2yl)3(11dioxidotetrahydrothiophen3yl)urea
1((2S3R)1(4acetylpiperazin1yl)3methyl1oxopentan2yl)3(11dioxothiolan3yl)urea
1212441865
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)C(=O)C)NC(=O)NC1CCS(=O)(=O)C1)C
CCC(C)C(C(=O)N1CCN(CC1)C(=O)C)NC(=O)NC2CCS(=O)(=O)C2
InChI=1SC17H30N4O5Sc1412(2)15(16(23)218620(7921)13(3)22)1917(24)181451027(2526)1114h121415H411H213H3(H2181924)t1214?15+m1s1
MFCD18165643
ZINC000036359043
ZINC000036359044
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