Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908496
SMILES CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)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 C37H33N3O6S2 MW 679.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33N3O6S2/c1-2-3-6-17-44-27-13-8-11-24(20-27)32-31(33(41)25-15-16-29-30(21-25)46-19-18-45-29)34(42)35(43)40(32)36-38-39-37(48-36)47-22-26-12-7-10-23-9-4-5-14-28(23)26/h4-5,7-16,20-21,32,42H,2-3,6,17-19,22H2,1H3InChIKey
OPKIBQHXQNMZKE-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(3(pentyloxy)phenyl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)3hydroxy1(5((naphthalen1ylmethyl)thio)134thiadiazol2yl)5(3(pentyloxy)phenyl)1Hpyrrol2(5H)one
MFCD06285454
ZINC000097967905
ZINC000097967906
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