Vitas-M small molecule compound
methyl (5E)-5-[(3S,4S)-3-hydroxy-4-[(phenylcarbonyl)amino]dihydrothiophen-2(3H)-ylidene]pentanoate
Catalog ID
STK787125
SMILES COC(=O)CCC/C=C\1/SC[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 C17H21NO4S MW 335.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9+/t13-,16+/m1/s1InChIKey
VTJYJQFKNLLGNV-LJIZWLQASA-NSynonyms
1082689-76-6(Z)methyl5((3S4S)4benzamido3hydroxydihydrothiophen2(3H)ylidene)pentanoate
1082689766
COC(=O)CCCC=C1C(C(CS1)NC(=O)C2=CC=CC=C2)O
COC(=O)CCCC=C1SC(C@H)((C@@H)1O)NC(=O)c1ccccc1
InChI=1SC17H21NO4Sc12215(19)106591416(20)13(112314)1817(21)127324812h2479131620H561011H21H3(H1821)b149+t1316+m1s1
methyl(5E)5((3S4S)3hydroxy4((phenylcarbonyl)amino)dihydrothiophen2(3H)ylidene)pentanoate
METHYL(5E)5((3S4S)4BENZAMIDO3HYDROXYTHIOLAN2YLIDENE)PENTANOATE
MFCD09028278
ZINC000003897387
ZINC03897387
ZINC3897387
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