Vitas-M small molecule compound

11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(prop-1-yn-1-yl)estra-4,9-dien-3-one

Catalog ID
STL257061
SMILES CC#CC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21

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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 C29H35NO2 MW 429.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3
InChIKey
VKHAHZOOUSRJNA-UHFFFAOYSA-N
Synonyms
84371-65-3
(8ALPHA11ALPHA14BETA17ALPHA)11(4(DIMETHYLAMINO)PHENYL)17HYDROXY17(PROP1YN1YL)ESTRA49DIEN3ONE
(8S11R13S14S17S)11(4(dimethylamino)phenyl)17hydroxy13methyl17(prop1yn1yl)67811121314151617decahydro1Hcyclopenta(a)phenanthren3(2H)one
11(4(dimethylamino)phenyl)17hydroxy13methyl17prop1ynyl126781112141516decahydrocyclopenta(a)phenanthren3one
11(4(dimethylamino)phenyl)17hydroxy17(prop1yn1yl)estra49dien3one
11BETA(P(DIMETHYLAMINO)PHENYL)17BETAHYDROXY17(1PROPYNYL)ESTRA49DIEN3ONE
84371653
CC#C(C@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC(C@@H)21
CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
InChI=1SC29H35NO2c151529(32)16142624128201722(31)111323(20)27(24)25(1828(2629)2)196921(10719)30(3)4h6791017242632H811141618H214H3
MFCD03852759
ZINC000001484338
ZINC000036402613

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Available files

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