Vitas-M small molecule compound
methyl N-[3-(6'-methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)propanoyl]-beta-alaninate
Catalog ID
STL476184
SMILES COC(=O)CCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2
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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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-16-18(6-7-22(27)26-13-9-23(28)30-2)24(29)31-21-15-20-17(14-19(16)21)8-12-25(32-20)10-4-3-5-11-25/h14-15H,3-13H2,1-2H3,(H,26,27)InChIKey
BHPIDOULGQIMAL-UHFFFAOYSA-NSynonyms
1630841-46-11630841461
CC1=C(C(=O)OC2=CC3=C(CCC4(O3)CCCCC4)C=C12)CCC(=O)NCCC(=O)OC
InChI=1SC25H31NO6c11618(6722(27)2613923(28)302)24(29)3121152017(1419(16)21)81225(3220)104351125h1415H313H212H3(H2627)
methyl3(3(6methyl8oxo48dihydro3Hspiro(cyclohexane12pyrano(32g)chromen)7yl)propanamido)propanoate
methyl3(3(6methyl8oxospiro(34dihydropyrano(32g)chromene21cyclohexane)7yl)propanoylamino)propanoate
methylN(3(6methyl8oxo34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)7yl)propanoyl)betaalaninate
MFCD31751339
ZINC000170625504
ZINC170625504
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