Vitas-M small molecule compound
4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
Catalog ID
STL009800
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2c2ccccc2)c2ccncc2)[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 C27H29N5O8S MW 583.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O8S/c1-15(33)29-22-24(39-18(4)36)23(38-17(3)35)21(14-37-16(2)34)40-26(22)41-27-31-30-25(19-10-12-28-13-11-19)32(27)20-8-6-5-7-9-20/h5-13,21-24,26H,14H2,1-4H3,(H,29,33)/t21-,22-,23-,24-,26+/m1/s1InChIKey
DENAINJVSPVEOB-YLLXKFEGSA-NSynonyms
956950-47-3((2R3S4R5R6S)5acetamido34diacetyloxy6((4phenyl5pyridin4yl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4phenyl5(pyridin4yl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
4PHENYL5(PYRIDIN4YL)4H124TRIAZOL3YL346TRIOACETYL2(ACETYLAMINO)2DEOXY1THIOBETADGLUCOPYRANOSIDE
956950473
CC(=O)NC1C(C(C(OC1SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)COC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2c2ccccc2)c2ccncc2)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC27H29N5O8Sc115(33)292224(3918(4)36)23(3817(3)35)21(143716(2)34)4026(22)4127313025(19101228131119)32(27)208657920h513212426H14H214H3(H2933)t2122232426+m1s1
MFCD09843131
ZINC000070712143
ZINC70712143
Check stock
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Check stock on Vitas-MAvailable files
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