Vitas-M small molecule compound
3-({[2-methoxy-4-(methylsulfanyl)phenyl]carbonyl}amino)-3-[4-(propan-2-yloxy)phenyl]propanoic acid
Catalog ID
STK681122
SMILES COc1cc(SC)ccc1C(=O)NC(c1ccc(cc1)OC(C)C)CC(=O)O
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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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-13(2)27-15-7-5-14(6-8-15)18(12-20(23)24)22-21(25)17-10-9-16(28-4)11-19(17)26-3/h5-11,13,18H,12H2,1-4H3,(H,22,25)(H,23,24)InChIKey
TYQOXSWVLGDQOC-UHFFFAOYSA-NSynonyms
(3R)3((2METHOXY4(METHYLSULFANYL)BENZOYL)AMINO)3(4(PROPAN2YLOXY)PHENYL)PROPANOICACID
3(((2methoxy4(methylsulfanyl)phenyl)carbonyl)amino)3(4(propan2yloxy)phenyl)propanoicacid
3((2METHOXY4METHYLSULFANYLBENZOYL)AMINO)3(4PROPAN2YLOXYPHENYL)PROPANOICACID
3((2METHOXY4METHYLTHIOPHENYL)CARBONYLAMINO)3(4(METHYLETHOXY)PHENYL)PROPANOICACID
CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=C(C=C2)SC)OC
InChI=1SC21H25NO5Sc113(2)27157514(6815)18(1220(23)24)2221(25)1710916(284)1119(17)263h5111318H12H214H3(H2225)(H2324)
MFCD03768228
ZINC000004619075
ZINC000004619076
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