Vitas-M small molecule compound

5-(2-chlorophenyl)-4-pentyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL010464
SMILES CCCCCn1c(nnc1c1ccccc1Cl)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=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 C27H35ClN4O8S MW 611.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35ClN4O8S/c1-6-7-10-13-32-25(19-11-8-9-12-20(19)28)30-31-27(32)41-26-22(29-15(2)33)24(39-18(5)36)23(38-17(4)35)21(40-26)14-37-16(3)34/h8-9,11-12,21-24,26H,6-7,10,13-14H2,1-5H3,(H,29,33)/t21-,22-,23-,24-,26+/m1/s1
InChIKey
QNXVDKIVRKDZHD-YLLXKFEGSA-N
Synonyms
956812-32-1
((2R3S4R5R6S)5acetamido34diacetyloxy6((5(2chlorophenyl)4pentyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((5(2chlorophenyl)4pentyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
5(2CHLOROPHENYL)4PENTYL4H124TRIAZOL3YL346TRIOACETYL2(ACETYLAMINO)2DEOXY1THIOBETADGLUCOPYRANOSIDE
956812321
CCCCCN1C(=NN=C1SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C3=CC=CC=C3Cl
CCCCCn1c(nnc1c1ccccc1Cl)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=1SC27H35ClN4O8Sc16710133225(1911891220(19)28)303127(32)412622(2915(2)33)24(3918(5)36)23(3817(4)35)21(4026)143716(3)34h891112212426H67101314H215H3(H2933)t2122232426+m1s1
MFCD09843171
ZINC000070712151
ZINC70712151

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Available files

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