Vitas-M small molecule compound
5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Catalog ID
STL553713
SMILES C=CCn1c(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 C25H30N4O8S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O8S/c1-6-12-29-23(18-10-8-7-9-11-18)27-28-25(29)38-24-20(26-14(2)30)22(36-17(5)33)21(35-16(4)32)19(37-24)13-34-15(3)31/h6-11,19-22,24H,1,12-13H2,2-5H3,(H,26,30)InChIKey
OKOBRLKGAITLQQ-UHFFFAOYSA-NSynonyms
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4allyl5phenyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
(5acetamido34diacetyloxy6((5phenyl4prop2enyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
45369939
5phenyl4(prop2en1yl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
C=CCn1c(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=1SC25H30N4O8Sc16122923(18108791118)272825(29)382420(2614(2)30)22(3617(5)33)21(3516(4)32)19(3724)133415(3)31h611192224H11213H225H3(H2630)
MFCD31750823
ZINC000253491969
ZINC000253491972
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