Vitas-M small molecule compound
4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoic acid
Catalog ID
STL527011
SMILES O=C(NCc1ccc(cc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-19(34)31(38)15-12-26-24-9-8-22-16-23(10-13-29(22,2)25(24)11-14-30(26,31)3)33-39-18-27(35)32-17-20-4-6-21(7-5-20)28(36)37/h4-7,16,24-26,38H,8-15,17-18H2,1-3H3,(H,32,35)(H,36,37)/b33-23-/t24?,25?,26?,29-,30-,31-/m0/s1InChIKey
QHTLRHOFUALKRJ-IYEUNLSESA-NSynonyms
135639215
4(((((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)methyl)benzoicacid
4(((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)benzoicacid
4((2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)methyl)benzoicacid
InChI=1SC31H40N2O6c119(34)31(38)1512262498221623(101329(222)25(24)111430(2631)3)33391827(35)3217204621(7520)28(36)37h4716242638H8151718H213H3(H3235)(H3637)b3323t24?25?26?293031m0s1
MFCD03005667
O=C(NCc1ccc(cc1)C(=O)O)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
ZINC001772492281
ZINC001772492284
Check stock
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Check stock on Vitas-MAvailable files
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