Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-16-isothiocyanato-20-oxopregn-5-en-3-yl acetate

Catalog ID
STL528133
SMILES S=C=NC1CC2[C@](C1C(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)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 C24H33NO3S MW 415.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO3S/c1-14(26)22-21(25-13-29)12-20-18-6-5-16-11-17(28-15(2)27)7-9-23(16,3)19(18)8-10-24(20,22)4/h5,17-22H,6-12H2,1-4H3/t17?,18?,19?,20?,21?,22?,23-,24-/m0/s1
InChIKey
OTQCKYVOOJVJQT-DCLVKWIVSA-N
Synonyms

((10~(R)13~(S))17acetyl16isothiocyanato1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(10R13S)17acetyl16isothiocyanato1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi17xi)16isothiocyanato20oxopregn5en3ylacetate
16399012
InChI=1SC24H33NO3Sc114(26)2221(251329)12201865161117(2815(2)27)7923(163)19(18)81024(2022)4h51722H612H214H3t17?18?19?20?21?22?2324m0s1
S=C=NC1CC2(C@)(C1C(=O)C)(C)CCC1C2CC=C2(C@)1(C)CCC(C2)OC(=O)C
ZINC000253498739
ZINC000253498742

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Available files

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