Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908400
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C36H37N3O7S2 MW 687.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O7S2/c1-5-43-28-18-24(10-12-26(28)44-15-14-21(2)3)31-30(32(40)25-11-13-27-29(19-25)46-17-16-45-27)33(41)34(42)39(31)35-37-38-36(48-35)47-20-23-8-6-22(4)7-9-23/h6-13,18-19,21,31,41H,5,14-17,20H2,1-4H3InChIKey
AOFGDZORZSMUFP-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4(3methylbutoxy)phenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4(isopentyloxy)phenyl)3hydroxy1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD04499428
ZINC000097968027
ZINC000097968028
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