Vitas-M small molecule compound
3-{[(17,21-dihydroxyajmalan-4-ium-4-yl)acetyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide
Catalog ID
STL552644
SMILES CCC1C2CC3[N+](C1O)(C1C2C(O)C2(C3N(C)c3c2cccc3)C1)CC(=O)OC1CCC2(C(C1)(O)CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)C=O
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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 C45H59N2O9 MW 771.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H59N2O9/c1-4-26-27-18-33-38-44(31-7-5-6-8-32(31)46(38)3)20-34(37(27)39(44)51)47(33,40(26)52)21-36(50)56-25-9-14-42(23-48)29-10-13-41(2)28(24-17-35(49)55-22-24)12-16-45(41,54)30(29)11-15-43(42,53)19-25/h5-8,17,23,25-30,33-34,37-40,51-54H,4,9-16InChIKey
NZHZHIOPSSXRFD-UHFFFAOYSA-NSynonyms
(10formyl514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2(13ethyl1418dihydroxy8methyl8aza15azoniahexacyclo(14210^(19)0^(27)0^(1015)0^(1217))nonadeca246trien15yl)acetate
3(((1721dihydroxyajmalan4ium4yl)acetyl)oxy)514dihydroxy19oxocard20(22)enolide
3786674
CC(C@H)1C2CC3(N+)((C@@H)1O)(C1C2C(O)(C@)2((C@H)3N(C)c3c2cccc3)C1)CC(=O)O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=O(Br)
InChI=1SC45H59N2O9c14262718333844(31756832(31)46(38)3)2034(37(27)39(44)51)47(3340(26)52)2136(50)562591442(2348)29101341(2)28(241735(49)552224)121645(4154)30(29)111543(4253)1925h5817232530333437405154H49161822H213H3q+1
ZINC000256447455
ZINC000256447466
Check stock
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Check stock on Vitas-MAvailable files
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