Vitas-M small molecule compound
methyl 4-[1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Catalog ID
STK907881
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)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 C30H22ClN3O7S2 MW 636.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN3O7S2/c1-39-28(38)17-8-6-16(7-9-17)24-23(25(35)18-10-11-21-22(14-18)41-13-12-40-21)26(36)27(37)34(24)29-32-33-30(43-29)42-15-19-4-2-3-5-20(19)31/h2-11,14,24,36H,12-13,15H2,1H3InChIKey
HEPIOCKASUSLLO-UHFFFAOYSA-NSynonyms
methyl4(1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)3(23dihydro14benzodioxin6ylcarbonyl)4hydroxy5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(1(5((2chlorobenzyl)thio)134thiadiazol2yl)3(23dihydrobenzo(b)(14)dioxine6carbonyl)4hydroxy5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD04481077
ZINC000097968287
ZINC000097968288
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