Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valine
Catalog ID
STL528173
SMILES O=C(NC(C(=O)O)C(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[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 C30H43NO8 MW 545.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43NO8/c1-17(2)26(27(36)37)31-24(34)7-8-25(35)39-16-23(33)30(38)14-11-22-20-6-5-18-15-19(32)9-12-28(18,3)21(20)10-13-29(22,30)4/h15,17,20-22,26,38H,5-14,16H2,1-4H3,(H,31,34)(H,36,37)/t20?,21?,22?,26?,28-,29-,30-/m0/s1InChIKey
CRHSQDHXTUIYLY-GIILCSAYSA-NSynonyms
135639368
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanoicacid
InChI=1SC30H43NO8c117(2)26(27(36)37)3124(34)7825(35)391623(33)30(38)1411222065181519(32)91228(183)21(20)101329(2230)4h151720222638H51416H214H3(H3134)(H3637)t20?21?22?26?282930m0s1
MFCD03849974
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valine
O=C(NC(C(=O)O)C(C)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000252346791
ZINC001772492333
Check stock
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Check stock on Vitas-MAvailable files
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