Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)aspartic acid
Catalog ID
STL529118
SMILES O=C(NC(C(=O)O)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C29H37NO11 MW 575.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO11/c1-27-9-7-16(31)11-15(27)3-4-17-18-8-10-29(40,28(18,2)13-20(32)25(17)27)21(33)14-41-24(37)6-5-22(34)30-19(26(38)39)12-23(35)36/h7,9,11,17-20,25,32,40H,3-6,8,10,12-14H2,1-2H3,(H,30,34)(H,35,36)(H,38,39)/t17?,18?,19?,20?,25?,27-,28-,29-/InChIKey
NGSCTGPAVYAVKO-BZVXMAEZSA-NSynonyms
135639384
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)butanedioicacid
2(4(2((8S10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)succinicacid
InChI=1SC29H37NO11c1279716(31)1115(27)34171881029(4028(182)1320(32)25(17)27)21(33)144124(37)6522(34)3019(26(38)39)1223(35)36h79111720253240H368101214H212H3(H3034)(H3536)(H3839)t17?18?19?20?25?272829m0s1
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)asparticacid
O=C(NC(C(=O)O)CC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1(C@H)2CCC2=CC(=O)C=C(C@)12C
ZINC001772492504
ZINC001772492507
Check stock
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Check stock on Vitas-MAvailable files
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