Vitas-M small molecule compound

(3alpha,8xi,9xi,12alpha,14xi,17xi,20xi)-3,12-dihydroxy-N'-[(1E)-1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethyl]cholane-24-hydrazide

Catalog ID
STL181157
SMILES O[C@@H]1CC[C@]2(C(C1)CCC1C2C[C@H](O)[C@]2(C1CCC2C(CCC(=O)NN/C(=C\1/C(=O)OC(=CC1=O)C)/C)C)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 C32H48N2O6 MW 556.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48N2O6/c1-17(6-11-28(38)34-33-19(3)29-26(36)14-18(2)40-30(29)39)23-9-10-24-22-8-7-20-15-21(35)12-13-31(20,4)25(22)16-27(37)32(23,24)5/h14,17,20-25,27,33,35,37H,6-13,15-16H2,1-5H3,(H,34,38)/b29-19+/t17?,20?,21-,22?,23?,24?,25?,27+,31+,32-/m1/s
InChIKey
KSBWHZNIKJEVNH-YWNKJIKSSA-N
Synonyms

(3alpha8xi9xi12alpha14xi17xi20xi)312dihydroxyN((1E)1(6methyl24dioxo2Hpyran3(4H)ylidene)ethyl)cholane24hydrazide
4((3R10S12S13R)312dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)N((1E)1(6methyl24dioxopyran3ylidene)ethyl)pentanehydrazide
CC1=CC(=O)C(=C(C)NNC(=O)CCC(C)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C)C(=O)O1
InChI=1SC32H48N2O6c117(61128(38)343319(3)2926(36)1418(2)4030(29)39)23910242287201521(35)121331(204)25(22)1627(37)32(2324)5h1417202527333537H6131516H215H3(H3438)b2919+t17?20?2122?23?24?25?27+31+32m1s1
MFCD10702001
O(C@@H)1CC(C@)2(C(C1)CCC1C2C(C@H)(O)(C@)2(C1CCC2C(CCC(=O)NNC(=C1C(=O)OC(=CC1=O)C)C)C)C)C
ZINC000253504007
ZINC000253504025

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Available files

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