Vitas-M small molecule compound
(8xi,9xi,14xi,16E)-3-hydroxy-16-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]androst-5-en-17-one
Catalog ID
STK694345
SMILES COc1cc(/C=C/2\CC3[C@](C2=O)(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)cc2c1OCO2
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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 C28H34O5 MW 450.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O5/c1-27-8-6-19(29)14-18(27)4-5-20-21(27)7-9-28(2)22(20)13-17(26(28)30)10-16-11-23(31-3)25-24(12-16)32-15-33-25/h4,10-12,19-22,29H,5-9,13-15H2,1-3H3/b17-10+/t19?,20?,21?,22?,27-,28-/m0/s1InChIKey
IVXZBYUDBRZPHL-CLUAHMLOSA-NSynonyms
(10R13S16E)3hydroxy16((7methoxy13benzodioxol5yl)methylidene)1013dimethyl23478911121415decahydro1Hcyclopenta(a)phenanthren17one
(8xi9xi14xi16E)3hydroxy16((7methoxy13benzodioxol5yl)methylidene)androst5en17one
CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC6=C(C(=C5)OC)OCO6)C4=O)C)O
COc1cc(C=C2CC3(C@)(C2=O)(C)CCC2C3CC=C3(C@)2(C)CCC(C3)O)cc2c1OCO2
InChI=1SC28H34O5c1278619(29)1418(27)452021(27)7928(2)22(20)1317(26(28)30)10161123(313)2524(1216)32153325h41012192229H591315H213H3b1710+t19?20?21?22?2728m0s1
ZINC000035324175
ZINC000253528719
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