Vitas-M small molecule compound
1-{2-O-acetyl-3,5-bis-O-[(4-methylphenyl)carbonyl]pentofuranosyl}-4-hydroxypyrimidine-2(1H)-thione
Catalog ID
STK680910
SMILES Cc1ccc(cc1)C(=O)OCC1OC(C(C1OC(=O)c1ccc(cc1)C)OC(=O)C)n1ccc(nc1=S)O
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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 C27H26N2O8S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O8S/c1-15-4-8-18(9-5-15)25(32)34-14-20-22(37-26(33)19-10-6-16(2)7-11-19)23(35-17(3)30)24(36-20)29-13-12-21(31)28-27(29)38/h4-13,20,22-24H,14H2,1-3H3,(H,28,31,38)InChIKey
PMFZESFCGSFNDS-UHFFFAOYSA-NSynonyms
(4ACETYLOXY3(4METHYLBENZOYL)OXY5(4OXO2SULFANYLIDENEPYRIMIDIN1YL)OXOLAN2YL)METHYL4METHYLBENZOATE
1(2Oacetyl35bisO((4methylphenyl)carbonyl)pentofuranosyl)4hydroxypyrimidine2(1H)thione
CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=S)OC(=O)C)OC(=O)C4=CC=C(C=C4)C
InChI=1SC27H26N2O8Sc1154818(9515)25(32)34142022(3726(33)1910616(2)71119)23(3517(3)30)24(3620)29131221(31)2827(29)38h413202224H14H213H3(H283138)
MFCD03767715
ZINC000029747763
ZINC000103004598
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