Vitas-M small molecule compound
methyl 4-[1-{5-[(2,4-dichlorobenzyl)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
STK908135
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)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 C30H21Cl2N3O7S2 MW 670.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21Cl2N3O7S2/c1-40-28(39)16-4-2-15(3-5-16)24-23(25(36)17-7-9-21-22(12-17)42-11-10-41-21)26(37)27(38)35(24)29-33-34-30(44-29)43-14-18-6-8-19(31)13-20(18)32/h2-9,12-13,24,37H,10-11,14H2,1H3InChIKey
FDNWYSRNWPRHIE-UHFFFAOYSA-NSynonyms
methyl4(1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)3(23dihydro14benzodioxin6ylcarbonyl)4hydroxy5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(1(5((24dichlorobenzyl)thio)134thiadiazol2yl)3(23dihydrobenzo(b)(14)dioxine6carbonyl)4hydroxy5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD06285448
ZINC000097968199
ZINC000097968200
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