Vitas-M small molecule compound
1-[(5xi)-abieta-8(14),9(11),12-trien-18-yl]-3-(4-methoxyphenyl)urea
Catalog ID
STL527985
SMILES COc1ccc(cc1)NC(=O)NC[C@]1(C)CCC[C@]2(C1CCc1c2ccc(c1)C(C)C)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 C28H38N2O2 MW 434.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O2/c1-19(2)20-7-13-24-21(17-20)8-14-25-27(3,15-6-16-28(24,25)4)18-29-26(31)30-22-9-11-23(32-5)12-10-22/h7,9-13,17,19,25H,6,8,14-16,18H2,1-5H3,(H2,29,30,31)/t25?,27-,28+/m0/s1InChIKey
SZCUAQITTPFEBX-JOTUXTEUSA-NSynonyms
1029694-09-41(((1~(R)4~(a)~(S))14~(a)dimethyl7propan2yl23491010~(a)hexahydrophenanthren1yl)methyl)3(4methoxyphenyl)urea
1(((1R4aS)7isopropyl14adimethyl12344a91010aoctahydrophenanthren1yl)methyl)3(4methoxyphenyl)urea
1((5xi)abieta8(14)9(11)12trien18yl)3(4methoxyphenyl)urea
1029694094
16398323
COc1ccc(cc1)NC(=O)NC(C@)1(C)CCC(C@)2(C1CCc1c2ccc(c1)C(C)C)C
InChI=1SC28H38N2O2c119(2)207132421(1720)8142527(31561628(2425)4)182926(31)302291123(325)121022h7913171925H68141618H215H3(H2293031)t25?2728+m0s1
MFCD03661620
ZINC000004043709
ZINC000004043711
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