Vitas-M small molecule compound
3-[({(2Z)-4-oxo-3-(2-phenylethyl)-2-[(2-phenylethyl)imino]-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
Catalog ID
STK067031
SMILES O=C(C1CC(=O)N(/C(=N/CCc2ccccc2)/S1)CCc1ccccc1)Nc1cccc(c1)C(=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 C28H27N3O4S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S/c32-25-19-24(26(33)30-23-13-7-12-22(18-23)27(34)35)36-28(29-16-14-20-8-3-1-4-9-20)31(25)17-15-21-10-5-2-6-11-21/h1-13,18,24H,14-17,19H2,(H,30,33)(H,34,35)/b29-28-InChIKey
VNUBONGAPWQQEE-ZIADKAODSA-NSynonyms
3((((2Z)4oxo3(2phenylethyl)2((2phenylethyl)imino)13thiazinan6yl)carbonyl)amino)benzoicacid
MFCD02648593
O=C(C1CC(=O)N(C(=NCCc2ccccc2)S1)CCc1ccccc1)Nc1cccc(c1)C(=O)O
STK067031
ZINC000013897980
ZINC000013897983
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