Vitas-M small molecule compound

S-[(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl] 2-phenoxybutanethioate

Catalog ID
STL548502
SMILES CCC(C(=O)S[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)C)C)C1)C)Oc1ccccc1

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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 C37H56O2S MW 564.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H56O2S/c1-7-34(39-28-14-9-8-10-15-28)35(38)40-29-20-22-36(5)27(24-29)16-17-30-32-19-18-31(26(4)13-11-12-25(2)3)37(32,6)23-21-33(30)36/h8-10,14-16,25-26,29-34H,7,11-13,17-24H2,1-6H3/t26?,29-,30?,31?,32?,33?,34?,36-,37+/m0/s1
InChIKey
YEWJETVSCUWSGT-RQJFDIFVSA-N
Synonyms

~(S)((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2phenoxybutanethioate
51052145
CCC(C(=O)S(C@H)1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(CCCC(C)C)C)C)C1)C)Oc1ccccc1
InChI=1SC37H56O2Sc1734(39281498101528)35(38)4029202236(5)27(2429)16173032191831(26(4)13111225(2)3)37(326)232133(30)36h810141625262934H711131724H216H3t26?2930?31?32?33?34?3637+m0s1
S((3beta8xi9xi14xi17xi20xi)cholest5en3yl)2phenoxybutanethioate
S((3S10R13R)1013dimethyl17(6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl)2phenoxybutanethioate
ZINC000253531117
ZINC000253531120

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.