Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valyl-4-hydroxyproline
Catalog ID
STL537651
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)N3CC(CC3C(=O)O)O)C(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 C33H47N3O7 MW 597.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N3O7/c1-6-33(42)14-11-25-23-8-7-20-15-21(9-12-31(20,4)24(23)10-13-32(25,33)5)35-43-18-27(38)34-28(19(2)3)29(39)36-17-22(37)16-26(36)30(40)41/h1,15,19,22-26,28,37,42H,7-14,16-18H2,2-5H3,(H,34,38)(H,40,41)/b35-21+/t22?,23?,24?,25?,26?,28?,31-InChIKey
CISVREYUELBLRR-NNNXOVRNSA-NSynonyms
1(2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)4hydroxypyrrolidine2carboxylicacid
1(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanoyl)4hydroxypyrrolidine2carboxylicacid
16403669
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)N3CC(CC3C(=O)O)O)C(C)C)CC(C@)12C
InChI=1SC33H47N3O7c1633(42)1411252387201521(91231(204)24(23)101332(2533)5)35431827(38)3428(19(2)3)29(39)361722(37)1626(36)30(40)41h115192226283742H7141618H225H3(H3438)(H4041)b3521+t22?23?24?25?26?28?313233+m0s1
MFCD06764940
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valyl4hydroxyproline
ZINC000070699103
ZINC000253502340
Check stock
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Check stock on Vitas-MAvailable files
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