Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]histidinate
Catalog ID
STL524963
SMILES C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)OC)Cc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(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 C30H40N4O5 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N4O5/c1-5-30(37)13-10-24-22-7-6-19-14-20(8-11-28(19,2)23(22)9-12-29(24,30)3)34-39-17-26(35)33-25(27(36)38-4)15-21-16-31-18-32-21/h1,14,16,18,22-25,37H,6-13,15,17H2,2-4H3,(H,31,32)(H,33,35)/b34-20+/t22?,23?,24?,25?,28-,29-,30+/m0/s1InChIKey
VWNXXDRIBVHHMQ-QGEXMJFQSA-NSynonyms
135638996
C(C@@)12CCC(=NOCC(=O)NC(C(=O)OC)Cc3c(nH)cn3)C=C2CC(C@@H)2(C@@H)1CC(C@)1((C@H)2CC(C@)1(O)C#C)C
InChI=1SC30H40N4O5c1530(37)1310242276191420(81128(192)23(22)91229(2430)3)34391726(35)3325(27(36)384)15211631183221h1141618222537H6131517H224H3(H3132)(H3335)b3420+t22?23?24?25?282930+m0s1
methyl2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)imidazol5yl)propanoate
methyl2(2(((E)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Himidazol4yl)propanoate
methylN(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)histidinate
MFCD01549266
ZINC001772491687
ZINC001772491690
Check stock
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