Vitas-M small molecule compound
ethyl (2Z)-2-[(5alpha,8xi,9xi,14xi,20Z)-3-(acetyloxy)pregn-16-en-20-ylidene]hydrazinecarboxylate
Catalog ID
STL524524
SMILES CCOC(=O)N/N=C(\C1=CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)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 C26H40N2O4 MW 444.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O4/c1-6-31-24(30)28-27-16(2)21-9-10-22-20-8-7-18-15-19(32-17(3)29)11-13-25(18,4)23(20)12-14-26(21,22)5/h9,18-20,22-23H,6-8,10-15H2,1-5H3,(H,28,30)/b27-16-/t18-,19?,20?,22?,23?,25-,26+/m0/s1InChIKey
LOLLQHCJUIEECY-ZEGSITPKSA-NSynonyms
((5~(S)10~(S)13~(S))17((~(Z))~(N)(ethoxycarbonylamino)~(C)methylcarbonimidoyl)1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(Z)ethyl2(1((3S5S8R9S10S13S14S)3acetoxy1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)hydrazinecarboxylate
135638954
CCOC(=O)NN=C(C1=CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C
ethyl(2Z)2((5alpha8xi9xi14xi20Z)3(acetyloxy)pregn16en20ylidene)hydrazinecarboxylate
InChI=1SC26H40N2O4c163124(30)282716(2)21910222087181519(3217(3)29)111325(184)23(20)121426(2122)5h918202223H681015H215H3(H2830)b2716t1819?20?22?23?2526+m0s1
MFCD01545549
ZINC001772491764
ZINC001772491767
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