Vitas-M small molecule compound

N-(4-{[(9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)leucine

Catalog ID
STL007385
SMILES CC(CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1[C@H]2CCC2=CC(=O)C=C[C@]12C)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 C31H43NO9 MW 573.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43NO9/c1-17(2)13-22(28(38)39)32-25(36)7-8-26(37)41-16-24(35)31(40)12-10-21-20-6-5-18-14-19(33)9-11-29(18,3)27(20)23(34)15-30(21,31)4/h9,11,14,17,20-23,27,34,40H,5-8,10,12-13,15-16H2,1-4H3,(H,32,36)(H,38,39)/t20-,21?,22?,23-,27?,29-,30-,31-/m0
InChIKey
VJAKAZCKYRUDIB-AJTGHNPRSA-N
Synonyms

2((4(2((8S10R11S13S17R)1117dihydroxy1013dimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4methylpentanoicacid
2(4(2((8S10R11S13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4methylpentanoicacid
CC(C)CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
CC(CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)C(C@H)(O)C1(C@H)2CCC2=CC(=O)C=C(C@)12C)C
InChI=1SC31H43NO9c117(2)1322(28(38)39)3225(36)7826(37)411624(35)31(40)1210212065181419(33)91129(183)27(20)23(34)1530(2131)4h91114172023273440H581012131516H214H3(H3236)(H3839)t2021?22?2327?293031m0s1
MFCD06768973
N(4(((9xi11beta14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)leucine
ZINC000038144918
ZINC000253502777

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Available files

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