Vitas-M small molecule compound
4-pentyl-5-phenyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Catalog ID
STL553726
SMILES CCCCCn1c(nnc1c1ccccc1)SC1OC(COC(=O)C)C(C(C1NC(=O)C)OC(=O)C)OC(=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 C27H36N4O8S MW 576.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O8S/c1-6-7-11-14-31-25(20-12-9-8-10-13-20)29-30-27(31)40-26-22(28-16(2)32)24(38-19(5)35)23(37-18(4)34)21(39-26)15-36-17(3)33/h8-10,12-13,21-24,26H,6-7,11,14-15H2,1-5H3,(H,28,32)InChIKey
JESOEUQUEIIHTN-UHFFFAOYSA-NSynonyms
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4pentyl5phenyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
(5acetamido34diacetyloxy6((4pentyl5phenyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
4pentyl5phenyl4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
71949821
CCCCCn1c(nnc1c1ccccc1)S(C@@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1NC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC27H36N4O8Sc16711143125(201298101320)293027(31)402622(2816(2)32)24(3819(5)35)23(3718(4)34)21(3926)153617(3)33h8101213212426H67111415H215H3(H2832)
MFCD31750835
ZINC000504796630
ZINC000504796638
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