Vitas-M small molecule compound
(3aR,6R,9aR,11aR)-2-(4-methoxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Catalog ID
STL526045
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)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 C31H39NO5 MW 505.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39NO5/c1-17(2)21-16-31-14-11-22-29(3,12-6-13-30(22,4)28(35)36)23(31)15-20(21)24-25(31)27(34)32(26(24)33)18-7-9-19(37-5)10-8-18/h7-10,16-17,20,22-25H,6,11-15H2,1-5H3,(H,35,36)/t20?,22?,23?,24-,25+,29+,30-,31?/m1/s1InChIKey
DZNVZZCNVWFQRM-WVRKIMFISA-NSynonyms
(3aR6R9aR11aR)12isopropyl2(4methoxyphenyl)69adimethyl13dioxo1233a455a67899a9b101111ahexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(3aR6R9aR11aR)2(4methoxyphenyl)69adimethyl13dioxo12(propan2yl)hexadecahydro3b11ethenonaphtho(21e)isoindole6carboxylicacid
(5~(R)9~(R)13~(R)17~(R))15(4methoxyphenyl)59dimethyl1416dioxo19propan2yl15azapentacyclo(10520^(110)0^(49)0^(1317))nonadec18ene5carboxylicacid
16396910
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C13CCC4(C@)(C3CC2C(=C1)C(C)C)(C)CCC(C@@)4(C)C(=O)O
InChI=1SC31H39NO5c117(2)21163114112229(31261330(224)28(35)36)23(31)1520(21)2425(31)27(34)32(26(24)33)187919(375)10818h7101617202225H61115H215H3(H3536)t20?22?23?2425+29+3031?m1s1
MFCD02115627
ZINC000008762818
ZINC000252693561
Check stock
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