Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylserine
Catalog ID
STL528967
SMILES OCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#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 C31H45N3O7 MW 571.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O7/c1-6-31(40)14-11-23-21-8-7-19-15-20(9-12-29(19,4)22(21)10-13-30(23,31)5)34-41-17-25(36)33-26(18(2)3)27(37)32-24(16-35)28(38)39/h1,15,18,21-24,26,35,40H,7-14,16-17H2,2-5H3,(H,32,37)(H,33,36)(H,38,39)/b34-20+/t21?,22?,23?,24?,26?,29-,30-InChIKey
BMCVYNOMKBSIRU-ZQTISMMESA-NSynonyms
16403920
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)3hydroxypropanoicacid
2(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)3hydroxypropanoicacid
InChI=1SC31H45N3O7c1631(40)1411232187191520(91229(194)22(21)101330(2331)5)34411725(36)3326(18(2)3)27(37)3224(1635)28(38)39h115182124263540H7141617H225H3(H3237)(H3336)(H3839)b3420+t21?22?23?24?26?293031+m0s1
MFCD05725400
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylserine
OCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
ZINC000070699659
ZINC000253504366
Check stock
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