Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophanate
Catalog ID
STL525342
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C35H45N3O5 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45N3O5/c1-21(39)27-11-12-28-26-10-9-23-18-24(13-15-34(23,2)29(26)14-16-35(27,28)3)38-43-20-32(40)37-31(33(41)42-4)17-22-19-36-30-8-6-5-7-25(22)30/h5-8,18-19,26-29,31,36H,9-17,20H2,1-4H3,(H,37,40)/b38-24+/t26?,27?,28?,29?,31?,34-,35+/m0/s1InChIKey
KNVVNPTUMKQDSI-MHGAQLMVSA-NSynonyms
44663422
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)C)C)C
InChI=1SC35H45N3O5c121(39)2711122826109231824(131534(232)29(26)141635(2728)3)38432032(40)3731(33(41)424)1722193630865725(22)30h58181926293136H91720H214H3(H3740)b3824+t26?27?28?29?31?3435+m0s1
methyl2((2((~(E))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoate
methyl2(2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoate
methylN(((((3E8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)tryptophanate
MFCD02115639
ZINC000253503311
ZINC000253503320
Check stock
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