Vitas-M small molecule compound
methyl 4-(3-[(4-butoxyphenyl)carbonyl]-4-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Catalog ID
STK816070
SMILES CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(=O)OC)c1nnc(s1)SCc1ccc(cc1)C
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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 C33H31N3O6S2 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6S2/c1-4-5-18-42-25-16-14-23(15-17-25)28(37)26-27(22-10-12-24(13-11-22)31(40)41-3)36(30(39)29(26)38)32-34-35-33(44-32)43-19-21-8-6-20(2)7-9-21/h6-17,27,38H,4-5,18-19H2,1-3H3InChIKey
CDJKJDVELALLOC-UHFFFAOYSA-NSynonyms
methyl4(3((4butoxyphenyl)carbonyl)4hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD04557116
ZINC000098047483
ZINC000098047484
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