Vitas-M small molecule compound
S-[(7alpha,8xi,9xi,14xi,17alpha)-3-oxo-17,21-epoxypregn-4-en-7-yl] ethanethioate
Catalog ID
STL526275
SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C2C1C1CC[C@]3([C@]1(CC2)C)CCO3)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 C23H32O3S MW 388.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O3S/c1-14(24)27-19-13-15-12-16(25)4-7-21(15,2)17-5-8-22(3)18(20(17)19)6-9-23(22)10-11-26-23/h12,17-20H,4-11,13H2,1-3H3/t17?,18?,19-,20?,21+,22+,23-/m1/s1InChIKey
QICBLZXMSFTNCM-GJXJMVOTSA-NSynonyms
~(S)((7~(R)10~(R)13~(S)17~(R))1013dimethyl3oxospiro(267891112141516decahydro1~(H)cyclopenta(a)phenanthrene172oxetane)7yl)ethanethioate
16395609
CC(=O)S(C@@H)1CC2=CC(=O)CC(C@@)2(C2C1C1CC(C@)3((C@)1(CC2)C)CCO3)C
InChI=1SC23H32O3Sc114(24)271913151216(25)4721(152)175822(3)18(20(17)19)6923(22)10112623h121720H41113H213H3t17?18?1920?21+22+23m1s1
MFCD01545663
S((2R7R10R13S)1013dimethyl3oxo123678910111213141516tetradecahydrospiro(cyclopenta(a)phenanthrene172oxetan)7yl)ethanethioate
S((7alpha8xi9xi14xi17alpha)3oxo1721epoxypregn4en7yl)ethanethioate
ZINC000004025654
ZINC000250759859
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