Vitas-M small molecule compound
4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoic acid
Catalog ID
STL527016
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O
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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 C33H44N2O6 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O6/c1-21(36)33(40)16-13-28-26-10-9-24-18-25(11-14-31(24,2)27(26)12-15-32(28,33)3)35-41-20-29(37)34-19-23(17-30(38)39)22-7-5-4-6-8-22/h4-8,18,23,26-28,40H,9-17,19-20H2,1-3H3,(H,34,37)(H,38,39)/b35-25-/t23?,26?,27?,28?,31-,32-,33-/m0/s1InChIKey
BVRXYKXINDXTNL-SWUZAVQNSA-NSynonyms
4((((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)3phenylbutanoicacid
4((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2(((Z)((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylbutanoicacid
44664752
InChI=1SC33H44N2O6c121(36)33(40)16132826109241825(111431(242)27(26)121532(2833)3)35412029(37)341923(1730(38)39)227546822h481823262840H9171920H213H3(H3437)(H3839)b3525t23?26?27?28?313233m0s1
MFCD03006457
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O
ZINC000253502297
ZINC000253502319
Check stock
See real-time availability and sample size for STL527016 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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