Vitas-M small molecule compound
1-(4-methoxyphenyl)-2-({5-[1-(naphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK665058
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)C1CCCN1S(=O)(=O)c1ccc2c(c1)cccc2
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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 C31H28N4O4S2 MW 584.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O4S2/c1-39-26-16-13-23(14-17-26)29(36)21-40-31-33-32-30(35(31)25-10-3-2-4-11-25)28-12-7-19-34(28)41(37,38)27-18-15-22-8-5-6-9-24(22)20-27/h2-6,8-11,13-18,20,28H,7,12,19,21H2,1H3InChIKey
ZXTIXLJDAWEMEY-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)2((5(1(naphthalen2ylsulfonyl)pyrrolidin2yl)4phenyl4H124triazol3yl)sulfanyl)ethanone
1(4METHOXYPHENYL)2((5(1NAPHTHALEN2YLSULFONYLPYRROLIDIN2YL)4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5
InChI=1SC31H28N4O4S2c13926161323(141726)29(36)214031333230(35(31)25103241125)281271934(28)41(3738)27181522856924(22)2027h2681113182028H7121921H21H3
MFCD07800424
ZINC000098009070
ZINC000098009071
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