Vitas-M small molecule compound
5-{(2S,3S,4S)-3-hydroxy-4-[(phenylcarbonyl)amino]tetrahydrothiophen-2-yl}pentanoic acid
Catalog ID
STK693784
SMILES OC(=O)CCCC[C@@H]1SC[C@H]([C@@H]1O)NC(=O)c1ccccc1
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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 C16H21NO4S MW 323.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO4S/c18-14(19)9-5-4-8-13-15(20)12(10-22-13)17-16(21)11-6-2-1-3-7-11/h1-3,6-7,12-13,15,20H,4-5,8-10H2,(H,17,21)(H,18,19)/t12-,13+,15+/m1/s1InChIKey
NKOOGOGYJCUKMS-IPYPFGDCSA-NSynonyms
5((2S3S4S)3hydroxy4((phenylcarbonyl)amino)tetrahydrothiophen2yl)pentanoicacid
5((2S3S4S)4benzamido3hydroxythiolan2yl)pentanoicacid
C1C(C(C(S1)CCCCC(=O)O)O)NC(=O)C2=CC=CC=C2
InChI=1SC16H21NO4Sc1814(19)95481315(20)12(102213)1716(21)116213711h136712131520H45810H2(H1721)(H1819)t1213+15+m1s1
MFCD18246995
OC(=O)CCCC(C@@H)1SC(C@H)((C@@H)1O)NC(=O)c1ccccc1
ZINC000015108255
ZINC15108255
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