Vitas-M small molecule compound

N'-[(5alpha,8xi,9xi,14xi,17xi,20Z)-3-hydroxypregnan-20-ylidene]pyridine-4-carbohydrazide

Catalog ID
STL565242
SMILES OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2/C(=N\NC(=O)c1ccncc1)/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 C27H39N3O2 MW 437.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O2/c1-17(29-30-25(32)18-10-14-28-15-11-18)22-6-7-23-21-5-4-19-16-20(31)8-12-26(19,2)24(21)9-13-27(22,23)3/h10-11,14-15,19-24,31H,4-9,12-13,16H2,1-3H3,(H,30,32)/b29-17-/t19-,20?,21?,22?,23?,24?,26-,27+/m0/s1
InChIKey
UVRRRKXFKURMGX-XVNHRWLZSA-N
Synonyms

(Z)N(1((5S10S13S)3hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)isonicotinohydrazide
(Z)N(1((5S10S13S)3hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)isonicotinohydrazidehydrochloride
16395661
InChI=1SC27H39N3O2c117(293025(32)18101428151118)2267232154191620(31)81226(192)24(21)91327(2223)3h10111415192431H49121316H213H3(H3032)b2917t1920?21?22?23?24?2627+m0s1
N((5alpha8xi9xi14xi17xi20Z)3hydroxypregnan20ylidene)pyridine4carbohydrazide
N((Z)1((5S10S13S)3hydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethylideneamino)pyridine4carboxamide
OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2C(=NNC(=O)c1ccncc1)C)C)C
OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2C(=NNC(=O)c1ccncc1)C)C)CCl
ZINC000012655693
ZINC000253531191

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Available files

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