Vitas-M small molecule compound
4-oxo-4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}sulfanyl)butanoic acid
Catalog ID
STL527791
SMILES O=C(SC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)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 C16H18N2O4S2 MW 366.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S2/c19-13-3-1-2-12-11-6-10(8-18(12)13)7-17(9-11)16(23)24-15(22)5-4-14(20)21/h1-3,10-11H,4-9H2,(H,20,21)/t10-,11+/m0/s1InChIKey
DGVVVAKDZUPXEM-WDEREUQCSA-NSynonyms
4oxo4((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)sulfanyl)butanoicacid
4oxo4(((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)thio)butanoicacid
InChI=1SC16H18N2O4S2c19133121211610(818(12)13)717(911)16(23)2415(22)5414(20)21h131011H49H2(H2021)t1011+m0s1
MFCD03661808
O=C(SC(=S)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCC(=O)O
ZINC000002091240
Check stock
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Check stock on Vitas-MAvailable files
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