Vitas-M small molecule compound
trans-4-[({4-chloro-N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]phenylalanyl}amino)methyl]cyclohexanecarboxylic acid
Catalog ID
STL531742
SMILES O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)NC(C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)Cc1ccc(cc1)Cl
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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 C30H33ClN2O7 MW 569.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33ClN2O7/c1-16-22-11-12-25(34)17(2)27(22)40-30(39)23(16)14-26(35)33-24(13-18-5-9-21(31)10-6-18)28(36)32-15-19-3-7-20(8-4-19)29(37)38/h5-6,9-12,19-20,24,34H,3-4,7-8,13-15H2,1-2H3,(H,32,36)(H,33,35)(H,37,38)/t19-,20-,24?InChIKey
ZERQHRUJEVSVLF-OPYUEGPBSA-NSynonyms
(1r4r)4((3(4chlorophenyl)2(2(7hydroxy48dimethyl2oxo2Hchromen3yl)acetamido)propanamido)methyl)cyclohexanecarboxylicacid
InChI=1SC30H33ClN2O7c11622111225(34)17(2)27(22)4030(39)23(16)1426(35)3324(13185921(31)10618)28(36)3215193720(8419)29(37)38h5691219202434H34781315H212H3(H3236)(H3335)(H3738)t192024?
MFCD08002442
O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)NC(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O)Cc1ccc(cc1)Cl
trans4(((4chloroN((7hydroxy48dimethyl2oxo2Hchromen3yl)acetyl)phenylalanyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000253387697
ZINC000253387699
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