Vitas-M small molecule compound
(3E)-3-(1-{(2E)-2-[(17E)-3-hydroxyandrost-5-en-17-ylidene]hydrazinyl}ethylidene)-6-methyl-2H-pyran-2,4(3H)-dione
Catalog ID
STL181158
SMILES OC1CCC2(C(=CCC3C2CCC2(C3CC/C/2=N\N/C(=C\2/C(=O)OC(=CC2=O)C)/C)C)C1)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 C27H36N2O4 MW 452.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O4/c1-15-13-22(31)24(25(32)33-15)16(2)28-29-23-8-7-20-19-6-5-17-14-18(30)9-11-26(17,3)21(19)10-12-27(20,23)4/h5,13,18-21,28,30H,6-12,14H2,1-4H3/b24-16+,29-23+InChIKey
DMNRTWGZPCGAPI-IHDZYRCLSA-NSynonyms
(3E)3(1((2E)2((17E)3hydroxyandrost5en17ylidene)hydrazinyl)ethylidene)6methyl2Hpyran24(3H)dione
(3E)3(1((2E)2(3hydroxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17ylidene)hydrazinyl)ethylidene)6methylpyran24dione
CC1=CC(=O)C(=C(C)NN=C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)C(=O)O1
InChI=1SC27H36N2O4c1151322(31)24(25(32)3315)16(2)28292387201965171418(30)91126(173)21(19)101227(2023)4h51318212830H61214H214H3b2416+2923+
MFCD10702013
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=NNC(=C2C(=O)OC(=CC2=O)C)C)C)C1)C
ZINC000253503942
ZINC000253503967
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