Vitas-M small molecule compound
5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
Catalog ID
STL535391
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2c2ccccc2)c2ccccc2Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)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 C28H29ClN4O8S MW 617.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O8S/c1-15(34)30-23-25(40-18(4)37)24(39-17(3)36)22(14-38-16(2)35)41-27(23)42-28-32-31-26(20-12-8-9-13-21(20)29)33(28)19-10-6-5-7-11-19/h5-13,22-25,27H,14H2,1-4H3,(H,30,34)/t22-,23-,24-,25-,27+/m1/s1InChIKey
HQRSLVNTRYJBFA-CMSSPHMHSA-NSynonyms
956995-78-1((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((5(2chlorophenyl)4phenyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((5(2chlorophenyl)4phenyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
16409264
5(2chlorophenyl)4phenyl4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
956995781
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2c2ccccc2)c2ccccc2Cl)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC28H29ClN4O8Sc115(34)302325(4018(4)37)24(3917(3)36)22(143816(2)35)4127(23)4228323126(2012891321(20)29)33(28)19106571119h513222527H14H214H3(H3034)t2223242527+m1s1
MFCD09790324
ZINC000070712128
ZINC70712128
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.