Vitas-M small molecule compound

(2R,3R,4S,5R)-2-(acetoxymethyl)-6-(6-((4-((3,5-dioxo-2-((2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)butyl)thio)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydro-2H-pyran-3

Catalog ID
STL524994
SMILES CC(=O)OCC1O[C@H](C(C([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)n1nc(SCCCCSc2nn(c(=O)[nH]c2=O)[C@@H]2OC(COC(=O)C)[C@@H](C(C2OC(=O)C)OC(=O)C)OC(=O)C)c(=O)[nH]c1=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 C38H48N6O22S2 MW 1004.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N6O22S2/c1-15(45)57-13-23-25(59-17(3)47)27(61-19(5)49)29(63-21(7)51)35(65-23)43-37(55)39-31(53)33(41-43)67-11-9-10-12-68-34-32(54)40-38(56)44(42-34)36-30(64-22(8)52)28(62-20(6)50)26(60-18(4)48)24(66-36)14-58-16(2)46/h23-30,35-36H,9-14H2,1-8
InChIKey
JVXWNCRJCLOVRQ-COLAQCQWSA-N
Synonyms

((3~(R)6~(R))345triacetyloxy6(6(4((35dioxo2((2~(S)5~(R))345triacetyloxy6(acetyloxymethyl)oxan2yl)124triazin6yl)sulfanyl)butylsulfanyl)35dioxo124triazin2yl)oxan2yl)methylacetate
42648511
CC(=O)OCC1O(C@H)(C(C((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C)n1nc(SCCCCSc2nn(c(=O)(nH)c2=O)(C@H)2OC(COC(=O)C)(C@H)(C(C2OC(=O)C)OC(=O)C)OC(=O)C)c(=O)(nH)c1=O
InChI=1SC38H48N6O22S2c115(45)57132325(5917(3)47)27(6119(5)49)29(6321(7)51)35(6523)4337(55)3931(53)33(4143)671191012683432(54)4038(56)44(4234)3630(6422(8)52)28(6220(6)50)26(6018(4)48)24(6636)145816(2)46h23303536H914H218H3(H395355)(H405456)t23?24?25262
MFCD32649793

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Available files

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