Vitas-M small molecule compound
2-hydroxy-4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoic acid
Catalog ID
STL526769
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(C(C(=O)O)O)(C)C)/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 C29H42N2O6 MW 514.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O6/c1-6-29(36)14-11-22-20-8-7-18-15-19(9-12-27(18,4)21(20)10-13-28(22,29)5)31-37-16-23(32)30-17-26(2,3)24(33)25(34)35/h1,15,20-22,24,33,36H,7-14,16-17H2,2-5H3,(H,30,32)(H,34,35)/b31-19-/t20?,21?,22?,24?,27-,28-,29+/m0/s1InChIKey
NBPJXQDAKDHJEV-GVPIHEPHSA-NSynonyms
135639196
2hydroxy4((((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)amino)33dimethylbutanoicacid
4((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2hydroxy33dimethylbutanoicacid
4(2((((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2hydroxy33dimethylbutanoicacid
C#C(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCC(C(C(=O)O)O)(C)C)CC(C@)12C
InChI=1SC29H42N2O6c1629(36)1411222087181519(91227(184)21(20)101328(2229)5)31371623(32)301726(23)24(33)25(34)35h1152022243336H7141617H225H3(H3032)(H3435)b3119t20?21?22?24?272829+m0s1
MFCD03005832
ZINC001772492447
ZINC001772492450
Check stock
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