Vitas-M small molecule compound
N-[4-(4-benzyl-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]-2-methylbenzamide
Catalog ID
STK120540
SMILES O=C(c1ccccc1C)Nc1ccc(cc1)c1nnc(n1Cc1ccccc1)SCC(=O)N1CCc2c1cccc2
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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 C33H29N5O2S MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O2S/c1-23-9-5-7-13-28(23)32(40)34-27-17-15-26(16-18-27)31-35-36-33(38(31)21-24-10-3-2-4-11-24)41-22-30(39)37-20-19-25-12-6-8-14-29(25)37/h2-18H,19-22H2,1H3,(H,34,40)InChIKey
IEYBRCBJVHYGCT-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)N5CCC6=CC=CC=C65
InChI=1SC33H29N5O2Sc1239571328(23)32(40)3427171526(161827)31353633(38(31)2124103241124)412230(39)3720192512681429(25)37h218H1922H21H3(H3440)
MFCD03869894
N(4(4BENZYL5((2(23DIHYDRO1HINDOL1YL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)2METHYLBENZAMIDE
N(4(4BENZYL5(2(23DIHYDROINDOL1YL)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)2METHYLBENZAMIDE
ZINC000097995728
ZINC97995728
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