Vitas-M small molecule compound

N-[2-(4-hydroxyphenyl)ethyl]-2-(6'-methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetamide

Catalog ID
STL237241
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2)NCCc1ccc(cc1)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-18-22-15-20-9-13-28(11-3-2-4-12-28)34-24(20)17-25(22)33-27(32)23(18)16-26(31)29-14-10-19-5-7-21(30)8-6-19/h5-8,15,17,30H,2-4,9-14,16H2,1H3,(H,29,31)
InChIKey
KNXPTMSOSKJRBL-UHFFFAOYSA-N
Synonyms
1014064-30-2
1014064302
CC1=C(C(=O)OC2=CC3=C(CCC4(O3)CCCCC4)C=C12)CC(=O)NCCC5=CC=C(C=C5)O
InChI=1SC28H31NO5c11822152091328(113241228)3424(20)1725(22)3327(32)23(18)1626(31)291410195721(30)8619h58151730H2491416H21H3(H2931)
MFCD08744895
N(2(4hydroxyphenyl)ethyl)2(6methyl8oxo34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)7yl)acetamide
N(2(4hydroxyphenyl)ethyl)2(6methyl8oxospiro(34dihydropyrano(32g)chromene21cyclohexane)7yl)acetamide
N(4hydroxyphenethyl)2(6methyl8oxo48dihydro3Hspiro(cyclohexane12pyrano(32g)chromen)7yl)acetamide
ZINC000013625272
ZINC13625272

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Available files

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