Vitas-M small molecule compound
4-[({5-[1-(naphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1H)-one
Catalog ID
STK272152
SMILES O=C1Nc2ccccc2N(C1)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 C32H28N6O4S2 MW 624.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N6O4S2/c39-29-20-36(27-14-7-6-13-26(27)33-29)30(40)21-43-32-35-34-31(38(32)24-11-2-1-3-12-24)28-15-8-18-37(28)44(41,42)25-17-16-22-9-4-5-10-23(22)19-25/h1-7,9-14,16-17,19,28H,8,15,18,20-21H2,(H,33,39)InChIKey
XTGCSUSGWZINTL-UHFFFAOYSA-NSynonyms
4(((5(1(naphthalen2ylsulfonyl)pyrrolidin2yl)4phenyl4H124triazol3yl)sulfanyl)acetyl)34dihydroquinoxalin2(1H)one
4(2((5(1naphthalen2ylsulfonylpyrrolidin2yl)4phenyl124triazol3yl)sulfanyl)acetyl)13dihydroquinoxalin2one
4(2(5(1(2NAPHTHYLSULFONYL)PYRROLIDIN2YL)4PHENYL124TRIAZOL3YLTHIO)ACETYL)134TRIHYDROQUINOXALIN2ONE
C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)N6CC(=O)NC7=CC=CC=C76
InChI=1SC32H28N6O4S2c39292036(2714761326(27)3329)30(40)214332353431(38(32)24112131224)281581837(28)44(4142)251716229451023(22)1925h1791416171928H815182021H2(H3339)
MFCD07190020
ZINC000098042775
ZINC000098042776
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