Vitas-M small molecule compound
N'-[(5alpha,8xi,9xi,14xi,17xi,20E)-pregn-2-en-20-ylidene]pyridine-4-carbohydrazide
Catalog ID
STL534786
SMILES C/C(=N\NC(=O)c1ccncc1)/C1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2
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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 C27H37N3O MW 419.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N3O/c1-18(29-30-25(31)19-12-16-28-17-13-19)22-9-10-23-21-8-7-20-6-4-5-14-26(20,2)24(21)11-15-27(22,23)3/h4-5,12-13,16-17,20-24H,6-11,14-15H2,1-3H3,(H,30,31)/b29-18+/t20-,21?,22?,23?,24?,26+,27-/m1/s1InChIKey
VQKFSRAIZXMPGG-LVWOOZHKSA-NSynonyms
~(N)((~(E))1((5~(S)10~(S)13~(S))1013dimethyl456789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)ethylideneamino)pyridine4carboxamide
135639434
CC(=NNC(=O)c1ccncc1)(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC=CC2
InChI=1SC27H37N3Oc118(293025(31)19121628171319)22910232187206451426(202)24(21)111527(2223)3h45121316172024H6111415H213H3(H3031)b2918+t2021?22?23?24?26+27m1s1
MFCD02057255
N((5alpha8xi9xi14xi17xi20E)pregn2en20ylidene)pyridine4carbohydrazide
N(1((5S8R9S10S13S14S17S)1013dimethyl4567891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethylidene)isonicotinohydrazide
ZINC000005621229
ZINC001772492561
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