Vitas-M small molecule compound

(5xi,8xi,9xi,14xi)-3-oxoandrostan-17-yl benzoate

Catalog ID
STL191186
SMILES O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CCC2OC(=O)c1ccccc1)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 C26H34O3 MW 394.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18?,20?,21?,22?,23?,25-,26-/m0/s1
InChIKey
ZGDZDAPCWHIIKB-VUXRQZMKSA-N
Synonyms

((10S13S)1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)benzoate
(5S10S13S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17ylbenzoate
(5xi8xi9xi14xi)3oxoandrostan17ylbenzoate
CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)C5=CC=CC=C5)C
InChI=1SC26H34O3c125141219(27)1618(25)892021101123(26(212)151322(20)25)2924(28)176435717h37182023H816H212H3t18?20?21?22?23?2526m0s1
MFCD22390230
O=C1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2OC(=O)c1ccccc1)C)C
O=C1CC(C@)2(C(C1)CCC1C2CC(C@)2(C1CCC2OC(=O)c1ccccc1)C)C
ZINC000003814428
ZINC000253532563

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Available files

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