Vitas-M small molecule compound
methyl 1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyprolinate
Catalog ID
STL564943
SMILES COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)O
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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 C33H45NO10 MW 615.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO10/c1-19(35)44-33(27(38)18-43-29(40)8-7-28(39)34-17-22(37)16-26(34)30(41)42-4)14-11-25-23-6-5-20-15-21(36)9-12-31(20,2)24(23)10-13-32(25,33)3/h15,22-26,37H,5-14,16-18H2,1-4H3/t22?,23?,24?,25?,26?,31-,32-,33-/m0/s1InChIKey
WSRHHQCMLAXXNM-OYLUKOMESA-NSynonyms
44661237
COC(=O)C1CC(CN1C(=O)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C)O
InChI=1SC33H45NO10c119(35)4433(27(38)184329(40)8728(39)341722(37)1626(34)30(41)424)1411252365201521(36)91231(202)24(23)101332(2533)3h15222637H5141618H214H3t22?23?24?25?26?313233m0s1
methyl1(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)4hydroxyprolinate
methyl1(4(2((10R13S17R)17acetyloxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
methyl1(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
ZINC000253488083
ZINC000257361285
Check stock
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Check stock on Vitas-MAvailable files
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