Vitas-M small molecule compound
2-[(4aR,5S,6aS,6bS,9aR)-8-cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-methylpropanoate
Catalog ID
STL535505
SMILES O=C(C(C)C)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)C[C@H](O)C2C1CCC1=CC(=O)C=C[C@]21C)C1CCCCC1
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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 C32H44O7 MW 540.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22?,23?,24-,26+,27?,29?,30-,31-,32+/m0/s1InChIKey
LUKZNWIVRBCLON-DPTRQJQPSA-NSynonyms
(2((4~(R)8~(S)9~(S)11~(S)13~(R))6cyclohexyl11hydroxy913dimethyl16oxo57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417dien8yl)2oxoethyl)2methylpropanoate
17571846
2((4aR5S6aS6bS9aR)8cyclohexyl5hydroxy4a6adimethyl2oxo24a4b566a9a1010a10b1112dodecahydro6bHnaphtho(2145)indeno(12d)(13)dioxol6byl)2oxoethyl2methylpropanoate
InChI=1SC32H44O7c118(2)28(36)371725(35)3226(3829(3932)198657919)1523221110201421(33)121330(203)27(22)24(34)1631(2332)4h12141819222426272934H5111517H214H3t22?23?2426+27?29?303132+m0s1
MFCD09843498
ZINC000019685765
ZINC000253617917
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