Vitas-M small molecule compound

N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylglycine

Catalog ID
STL528282
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)NCC(=O)O)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 C32H46N2O10 MW 618.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O10/c1-17(2)28(29(42)33-15-25(39)40)34-24(38)7-8-26(41)44-16-23(37)32(43)12-10-21-20-6-5-18-13-19(35)9-11-30(18,3)27(20)22(36)14-31(21,32)4/h13,17,20-22,27-28,36,43H,5-12,14-16H2,1-4H3,(H,33,42)(H,34,38)(H,39,40)/t20?,21?,22?,27?,28?,30-,
InChIKey
ZQZZQUBVLJFYEM-OPECTXBUSA-N
Synonyms

16404486
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)aceticacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)aceticacid
InChI=1SC32H46N2O10c117(2)28(29(42)331525(39)40)3424(38)7826(41)441623(37)32(43)1210212065181319(35)91130(183)27(20)22(36)1431(2132)4h1317202227283643H5121416H214H3(H3342)(H3438)(H3940)t20?21?22?27?28?303132m0s1
MFCD04074568
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylglycine
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)NCC(=O)O)C(C)C
ZINC000253504337
ZINC000253504360

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Available files

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