Vitas-M small molecule compound
ethyl (2Z)-2-[(3beta,8xi,9xi,14xi,16alpha,20Z)-16-ethyl-3-hydroxypregn-5-en-20-ylidene]hydrazinecarboxylate
Catalog ID
STK760200
SMILES CCOC(=O)N/N=C(\[C@H]1[C@H](CC)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)O)/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 C26H42N2O3 MW 430.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H42N2O3/c1-6-17-14-22-20-9-8-18-15-19(29)10-12-25(18,4)21(20)11-13-26(22,5)23(17)16(3)27-28-24(30)31-7-2/h8,17,19-23,29H,6-7,9-15H2,1-5H3,(H,28,30)/b27-16-/t17-,19+,20?,21?,22?,23+,25+,26+/m1/s1InChIKey
KYGNNLDSEWCYTO-CYJQDFNMSA-NSynonyms
CCC1CC2C3CC=C4CC(CCC4(C3CCC2(C1C(=NNC(=O)OCC)C)C)C)O
CCOC(=O)NN=C((C@H)1(C@H)(CC)CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)O)C
ethyl(2Z)2((3beta8xi9xi14xi16alpha20Z)16ethyl3hydroxypregn5en20ylidene)hydrazinecarboxylate
ethylN((Z)1((3S10R13S16R17S)16ethyl3hydroxy1013dimethyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren17yl)ethylideneamino)carbamate
InChI=1SC26H42N2O3c161714222098181519(29)101225(184)21(20)111326(225)23(17)16(3)272824(30)3172h817192329H67915H215H3(H2830)b2716t1719+20?21?22?23+25+26+m1s1
MFCD01572119
ZINC000004524480
ZINC000253505621
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