Vitas-M small molecule compound
5-[(3alpha,25S)-26-amino-3-hydroxyfurost-5-en-22-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Catalog ID
STL536800
SMILES NC[C@H](CCC1(O[C@@H]2[C@H]([C@@H]1C)[C@@]1([C@@H](C2)[C@@H]2CC=C3[C@]([C@H]2CC1)(C)CC[C@H](C3)O)C)c1c(O)n(C)c(=O)n(c1=O)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 C33H51N3O5 MW 569.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H51N3O5/c1-18(17-34)9-14-33(27-28(38)35(5)30(40)36(6)29(27)39)19(2)26-25(41-33)16-24-22-8-7-20-15-21(37)10-12-31(20,3)23(22)11-13-32(24,26)4/h7,18-19,21-26,37-38H,8-17,34H2,1-6H3/t18-,19-,21+,22+,23-,24-,25-,26-,31-,32-,33?/m0/s1InChIKey
AETOFVLWNRPAPR-HGQBBTKHSA-NSynonyms
1107472-94-51107472945
16405444
5((1~(S)2~(S)4~(S)7~(S)8~(R)9~(S)12~(S)13~(R)16~(R))6((3~(S))4amino3methylbutyl)16hydroxy7913trimethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icos18en6yl)6hydroxy13dimethylpyrimidine24dione
5((3alpha25S)26amino3hydroxyfurost5en22yl)6hydroxy13dimethylpyrimidine24(1H3H)dione
InChI=1SC33H51N3O5c118(1734)91433(2728(38)35(5)30(40)36(6)29(27)39)19(2)2625(4133)16242287201521(37)101231(203)23(22)111332(2426)4h7181921263738H81734H216H3t181921+22+23242526313233?m0s1
MFCD07636964
NC(C@H)(CCC1(O(C@@H)2(C@H)((C@@H)1C)(C@@)1((C@@H)(C2)(C@@H)2CC=C3(C@)((C@H)2CC1)(C)CC(C@H)(C3)O)C)c1c(O)n(C)c(=O)n(c1=O)C)C
ZINC000070704605
ZINC000070704609
Check stock
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Check stock on Vitas-MAvailable files
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