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Vitas-M small molecule compound

(3beta)-3-hydroxy-18-methyl-N-(4-methylphenyl)-11-oxoolean-12-en-30-amide

Catalog ID
STL535202
SMILES Cc1ccc(cc1)NC(=O)[C@@]1(C)CC[C@]2([C@](C1)(C)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)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 C38H55NO3 MW 573.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H55NO3/c1-24-10-12-25(13-11-24)39-31(42)33(4)18-19-34(5)20-21-36(7)28(38(34,9)23-33)22-26(40)30-35(6)16-15-29(41)32(2,3)27(35)14-17-37(30,36)8/h10-13,22,27,29-30,41H,14-21,23H2,1-9H3,(H,39,42)/t27-,29-,30+,33-,34+,35-,36+,37+,38-/m0/s1
InChIKey
IOQDUGCPGORFQZ-WIXSASOLSA-N
Synonyms
1029962-19-3
(2~(S)4~(a)~(S)6~(a)~(R)6~(a)~(S)6~(b)~(R)8~(a)~(R)10~(S)12~(a)~(S)14~(b)~(R))10hydroxy24~(a)6~(a)6~(b)9912~(a)14~(b)octamethyl~(N)(4methylphenyl)13oxo134566~(a)788~(a)101112dodecahydropicene2carboxamide
(2S4aS6aS6bR8aR10S12aS12bR14bR)10hydroxy24a6a6b9912a14boctamethyl13oxoN(ptolyl)12344a566a6b788a910111212a12b1314bicosahydropicene2carboxamide
(3beta)3hydroxy18methylN(4methylphenyl)11oxoolean12en30amide
1029962193
16408356
Cc1ccc(cc1)NC(=O)(C@@)1(C)CC(C@)2((C@)(C1)(C)C1=CC(=O)(C@H)3(C@@)((C@@)1(CC2)C)(C)CC(C@@H)1(C@)3(C)CC(C@@H)(C1(C)C)O)C
InChI=1SC38H55NO3c124101225(131124)3931(42)33(4)181934(5)202136(7)28(38(349)2333)2226(40)3035(6)161529(41)32(23)27(35)141737(3036)8h10132227293041H142123H219H3(H3942)t272930+3334+3536+37+38m0s1
MFCD08742660
ZINC000070708522
ZINC70708522

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Available files

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