Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908393
SMILES CCCCCOc1cccc(c1)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 C34H33N3O6S2 MW 643.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O6S2/c1-3-4-5-15-41-25-8-6-7-23(18-25)29-28(30(38)24-13-14-26-27(19-24)43-17-16-42-26)31(39)32(40)37(29)33-35-36-34(45-33)44-20-22-11-9-21(2)10-12-22/h6-14,18-19,29,39H,3-5,15-17,20H2,1-2H3InChIKey
YYZRVLLJEAUDTB-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(pentyloxy)phenyl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)3hydroxy1(5((4methylbenzyl)thio)134thiadiazol2yl)5(3(pentyloxy)phenyl)1Hpyrrol2(5H)one
MFCD04590221
ZINC000097968428
ZINC000097968429
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