Vitas-M small molecule compound

(3alpha,8xi,9xi,14xi,16xi,17xi,20xi)-26-(acetylamino)-22-methoxyfurost-5-en-3-yl acetate

Catalog ID
STL524630
SMILES COC1(CCC(CNC(=O)C)C)OC2C(C1C)[C@@]1(C(C2)C2CC=C3[C@](C2CC1)(C)CC[C@H](C3)OC(=O)C)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 C32H51NO5 MW 529.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H51NO5/c1-19(18-33-21(3)34)10-15-32(36-7)20(2)29-28(38-32)17-27-25-9-8-23-16-24(37-22(4)35)11-13-30(23,5)26(25)12-14-31(27,29)6/h8,19-20,24-29H,9-18H2,1-7H3,(H,33,34)/t19?,20?,24-,25?,26?,27?,28?,29?,30+,31+,32?/m1/s1
InChIKey
FTAZSEIQLQVOPL-PCMHMXRCSA-N
Synonyms

((9~(S)13~(R)16~(R))6(4acetamido3methylbutyl)6methoxy7913trimethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icos18en16yl)acetate
(3alpha8xi9xi14xi16xi17xi20xi)26(acetylamino)22methoxyfurost5en3ylacetate
(4R6aR8aS)10(4acetamido3methylbutyl)10methoxy6a8a9trimethyl34566a6b788a8b91011a1212a12bhexadecahydro1Hnaphtho(2145)indeno(21b)furan4ylacetate
10311682
COC1(CCC(CNC(=O)C)C)OC2C(C1C)(C@@)1(C(C2)C2CC=C3(C@)(C2CC1)(C)CC(C@H)(C3)OC(=O)C)C
InChI=1SC32H51NO5c119(183321(3)34)101532(367)20(2)2928(3832)17272598231624(3722(4)35)111330(235)26(25)121431(2729)6h819202429H918H217H3(H3334)t19?20?2425?26?27?28?29?30+31+32?m1s1
MFCD01544787
ZINC000253499378
ZINC000253499381

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.