Vitas-M small molecule compound
1-[(5xi)-abieta-8(14),9(11),12-trien-18-yl]-3-(2,5-dimethoxyphenyl)urea
Catalog ID
STL528080
SMILES COc1ccc(c(c1)NC(=O)NC[C@]1(C)CCC[C@]2(C1CCc1c2ccc(c1)C(C)C)C)OC
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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 C29H40N2O3 MW 464.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O3/c1-19(2)20-8-11-23-21(16-20)9-13-26-28(3,14-7-15-29(23,26)4)18-30-27(32)31-24-17-22(33-5)10-12-25(24)34-6/h8,10-12,16-17,19,26H,7,9,13-15,18H2,1-6H3,(H2,30,31,32)/t26?,28-,29+/m0/s1InChIKey
XROJELMJOPWTCH-GXRAEGJDSA-NSynonyms
1212472-73-51(((1~(R)4~(a)~(S))14~(a)dimethyl7propan2yl23491010~(a)hexahydrophenanthren1yl)methyl)3(25dimethoxyphenyl)urea
1((5xi)abieta8(14)9(11)12trien18yl)3(25dimethoxyphenyl)urea
1(25dimethoxyphenyl)3(((1R4aS)7isopropyl14adimethyl12344a91010aoctahydrophenanthren1yl)methyl)urea
1212472735
16398473
COc1ccc(c(c1)NC(=O)NC(C@)1(C)CCC(C@)2(C1CCc1c2ccc(c1)C(C)C)C)OC
InChI=1SC29H40N2O3c119(2)208112321(1620)9132628(31471529(2326)4)183027(32)31241722(335)101225(24)346h8101216171926H79131518H216H3(H2303132)t26?2829+m0s1
MFCD03849913
ZINC000009033907
ZINC000009033908
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