Vitas-M small molecule compound

(3E,8xi,9xi,14xi)-3-{(2Z)-[(3Z,8xi,9xi,14xi)-17-hydroxyandrostan-3-ylidene]hydrazinylidene}androstan-17-ol

Catalog ID
STL525617
SMILES OC1CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CC/C(=N/N=C/1\CC[C@]3(C(C1)CCC1C3CC[C@]3(C1CCC3O)C)C)/C2

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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 C38H60N2O2 MW 576.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H60N2O2/c1-35-17-13-25(21-23(35)5-7-27-29-9-11-33(41)37(29,3)19-15-31(27)35)39-40-26-14-18-36(2)24(22-26)6-8-28-30-10-12-34(42)38(30,4)20-16-32(28)36/h23-24,27-34,41-42H,5-22H2,1-4H3/b39-25-,40-26+/t23?,24?,27?,28?,29?,30?,31?,32?,33?,34?,35-,
InChIKey
IFKAXOWEFYVMHY-SQPJZYBLSA-N
Synonyms

(3~(Z)10~(S)13~(S))3((~(E))((10~(S)13~(S))17hydroxy1013dimethyl12456789111214151617tetradecahydrocyclopenta(a)phenanthren3ylidene)hydrazinylidene)1013dimethyl12456789111214151617tetradecahydrocyclopenta(a)phenanthren17ol
(3E8xi9xi14xi)3((2Z)((3Z8xi9xi14xi)17hydroxyandrostan3ylidene)hydrazinylidene)androstan17ol
(3Z3E8R8R9S9S10S10S13S13S14S14S17S17S)33(hydrazine12diylidene)bis(1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17ol)
44664080
InChI=1SC38H60N2O2c135171325(2123(35)57272991133(41)37(293)191531(27)35)394026141836(2)24(2226)682830101234(42)38(304)201632(28)36h232427344142H522H214H3b39254026+t23?24?27?28?29?30?31?32?33?34?35363738m0s1
MFCD01549302
O(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2(C@)1(C)CCC(=NN=C1CC(C@)3(C(C1)CC(C@@H)1(C@@H)3CC(C@)3((C@H)1CC(C@@H)3O)C)C)C2
ZINC000253502523
ZINC000253502532

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Available files

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