Vitas-M small molecule compound
4-({[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid
Catalog ID
STL510993
SMILES O=C(NCC1CCC(CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
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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 C28H35NO6 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO6/c1-15-19(10-11-23(30)29-13-17-6-8-18(9-7-17)26(31)32)27(33)35-25-16(2)24-21(12-20(15)25)22(14-34-24)28(3,4)5/h12,14,17-18H,6-11,13H2,1-5H3,(H,29,30)(H,31,32)InChIKey
ALCRLVQDCOUCDC-UHFFFAOYSA-NSynonyms
1173688-40-8(1s4s)4((3(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)methyl)cyclohexanecarboxylicacid
1173688408
1807452
4(((3(3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)methyl)cyclohexanecarboxylicacid
4((3(3~(tert)butyl59dimethyl7oxofuro(32g)chromen6yl)propanoylamino)methyl)cyclohexane1carboxylicacid
4((3(3TERTBUTYL59DIMETHYL7OXOFURO(32G)CHROMEN6YL)PROPANOYLAMINO)METHYL)CYCLOHEXANE1CARBOXYLICACID
InChI=1SC28H35NO6c11519(101123(30)2913176818(9717)26(31)32)27(33)352516(2)2421(1220(15)25)22(143424)28(34)5h12141718H61113H215H3(H2930)(H3132)
MFCD31750879
O=C(NCC1CC(C@H)(CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C
ZINC000002160307
ZINC217471957
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