Vitas-M small molecule compound

2-(5-methyl-6-{(3Z,5E)-6-[4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}tetrahydro-2H-pyran-2-yl)propanoate

Catalog ID
STK368128
SMILES CC/C(=C/C=C/C1C=CC2C(C1C(=O)c1ccc[nH]1)CCC2)/C1OC(CCC1C)C(C(=O)[O-])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 C29H38NO4 MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/p-1/b10-5+,20-8-
InChIKey
HSZFOQSMGNAIJM-NEXGLGAZSA-M
Synonyms

2(5methyl6((3Z5E)6(4(1Hpyrrol2ylcarbonyl)233a457ahexahydro1Hinden5yl)hexa35dien3yl)tetrahydro2Hpyran2yl)propanoate
2(5METHYL6((3Z5E)6(4(1HPYRROLE2CARBONYL)233A457AHEXAHYDRO1HINDEN5YL)HEXA35DIEN3YL)OXAN2YL)PROPANOATE
CCC(=CC=CC1C=CC2C(C1C(=O)c1ccc(nH)1)CCC2)C1OC(CCC1C)C(C(=O)(O))C
CCC(=CC=CC1C=CC2CCCC2C1C(=O)C3=CC=CN3)C4C(CCC(O4)C(C)C(=O)(O))C
InChI=1SC29H39NO4c1420(2818(2)131625(3428)19(3)29(32)33)851022151421961123(21)26(22)27(31)24127173024h578101214151719212325262830H469111316H213H3(H3233)p1b105+208
ZINC000107880680
ZINC000245325921

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Available files

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