Vitas-M small molecule compound
2-hydroxy-4-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
Catalog ID
STL527202
SMILES O=C(NCC(C(C(=O)O)O)(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 C31H45NO9 MW 575.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO9/c1-28(2,26(37)27(38)39)17-32-24(35)7-8-25(36)41-16-23(34)31(40)14-11-22-20-6-5-18-15-19(33)9-12-29(18,3)21(20)10-13-30(22,31)4/h15,20-22,26,37,40H,5-14,16-17H2,1-4H3,(H,32,35)(H,38,39)/t20?,21?,22?,26?,29-,30-,31-/m0/s1InChIKey
MMZHKHGTQIESKL-DTNUMBGGSA-NSynonyms
2hydroxy4((4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)33dimethylbutanoicacid
2hydroxy4((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)33dimethylbutanoicacid
2hydroxy4(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)33dimethylbutanoicacid
44663797
InChI=1SC31H45NO9c128(226(37)27(38)39)173224(35)7825(36)411623(34)31(40)1411222065181519(33)91229(183)21(20)101330(2231)4h152022263740H5141617H214H3(H3235)(H3839)t20?21?22?26?293031m0s1
MFCD03266555
O=C(NCC(C(C(=O)O)O)(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
ZINC000253503429
ZINC000253503437
Check stock
See real-time availability and sample size for STL527202 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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