Vitas-M small molecule compound
(8xi,9xi,14xi)-17-(acetyloxy)-6-chloro-20-oxopregna-4,6-dien-3-yl butanoate
Catalog ID
STL525263
SMILES CCCC(=O)OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)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 C27H37ClO5 MW 477.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37ClO5/c1-6-7-24(31)32-18-8-11-25(4)20-9-12-26(5)21(19(20)15-23(28)22(25)14-18)10-13-27(26,16(2)29)33-17(3)30/h14-15,18-21H,6-13H2,1-5H3/t18?,19?,20?,21?,25-,26+,27+/m1/s1InChIKey
WMNKNTNQPACBNC-NANJBEGYSA-NSynonyms
((10~(R)13~(S)17~(R))17acetyl17acetyloxy6chloro1013dimethyl123891112141516decahydrocyclopenta(a)phenanthren3yl)butanoate
(3R8R9S10R13S14S17R)17acetoxy17acetyl6chloro1013dimethyl23891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3ylbutyrate
(8xi9xi14xi)17(acetyloxy)6chloro20oxopregna46dien3ylbutanoate
135639038
CCCC(=O)O(C@@H)1CC(C@)2(C(=C1)C(=C(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(OC(=O)C)C(=O)C)C)Cl)C
InChI=1SC27H37ClO5c16724(31)321881125(4)2091226(5)21(19(20)1523(28)22(25)1418)101327(2616(2)29)3317(3)30h14151821H613H215H3t18?19?20?21?2526+27+m1s1
MFCD01881390
ZINC000252441451
ZINC001772491703
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