Vitas-M small molecule compound
4-cyclopentyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Catalog ID
STL553724
SMILES CC(=O)OCC1OC(Sc2nnc(n2C2CCCC2)COc2ccc(cc2)C)C(C(C1OC(=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 C29H38N4O9S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N4O9S/c1-16-10-12-22(13-11-16)39-15-24-31-32-29(33(24)21-8-6-7-9-21)43-28-25(30-17(2)34)27(41-20(5)37)26(40-19(4)36)23(42-28)14-38-18(3)35/h10-13,21,23,25-28H,6-9,14-15H2,1-5H3,(H,30,34)InChIKey
DAXZWJMEKUNRCD-UHFFFAOYSA-NSynonyms
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4cyclopentyl5((ptolyloxy)methyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
(5acetamido34diacetyloxy6((4cyclopentyl5((4methylphenoxy)methyl)124triazol3yl)sulfanyl)oxan2yl)methylacetate
45370464
4cyclopentyl5((4methylphenoxy)methyl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2C2CCCC2)COc2ccc(cc2)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC29H38N4O9Sc116101222(131116)391524313229(33(24)21867921)432825(3017(2)34)27(4120(5)37)26(4019(4)36)23(4228)143818(3)35h101321232528H691415H215H3(H3034)
MFCD31750833
ZINC000248000827
ZINC000248000840
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