Vitas-M small molecule compound

(3beta,5xi,9xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl 4-hydrazinyl-4-oxobutanoate

Catalog ID
STL528884
SMILES NNC(=O)CCC(=O)OC[C@@]12CC[C@H](C2[C@@H]2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)OC(=O)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 C36H58N2O5 MW 598.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H58N2O5/c1-22(2)24-13-18-36(21-42-30(41)12-11-29(40)38-37)20-19-34(7)25(31(24)36)9-10-27-33(6)16-15-28(43-23(3)39)32(4,5)26(33)14-17-35(27,34)8/h24-28,31H,1,9-21,37H2,2-8H3,(H,38,40)/t24-,25+,26?,27?,28-,31?,33-,34+,35+,36+/m0/s1
InChIKey
PKAPKLCGHVIAEA-OSPVEJSTSA-N
Synonyms

((1~(R)3~(a)~(S)5~(a)~(R)5~(b)~(R)9~(S)11~(a)~(R)13~(a)~(R))9acetyloxy5~(a)5~(b)8811~(a)pentamethyl1prop1en2yl12345677~(a)9101111~(b)121313~(a)13~(b)hexadecahydrocyclopenta(a)chrysen3~(a)yl)methyl4hydrazinyl4oxobutanoate
((1R3aS5aR5bR9S11aR13aR)9acetoxy5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen3ayl)methyl4hydrazinyl4oxobutanoate
(3beta5xi9xi18xi)3(acetyloxy)lup20(29)en28yl4hydrazinyl4oxobutanoate
16400883
InChI=1SC36H58N2O5c122(2)24131836(214230(41)121129(40)3837)201934(7)25(31(24)36)9102733(6)161528(4323(3)39)32(45)26(33)141735(2734)8h242831H192137H228H3(H3840)t2425+26?27?2831?3334+35+36+m0s1
MFCD05672184
NNC(=O)CCC(=O)OC(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@@H)(C3(C)C)OC(=O)C)C(=C)C
ZINC000070687836
ZINC000253506014

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Available files

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