Vitas-M small molecule compound

N-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}-4-methylbenzenesulfonamide

Catalog ID
STK857966
SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1Sc1[nH]nc(n1)N)ccc3

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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 C21H19N5O2S2 MW 437.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S2/c1-12-8-10-14(11-9-12)30(27,28)26-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)29-21-23-20(22)24-25-21/h2-11,18-19,26H,1H3,(H3,22,23,24,25)
InChIKey
HOYFLSGPNXEBOT-UHFFFAOYSA-N
Synonyms
693253-61-1
693253611
CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NNC(=N5)N
Cc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1Sc1(nH)nc(n1)N)ccc3
Cc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1Sc1nnc((nH)1)N)ccc3
InChI=1SC21H19N5O2S2c11281014(11912)30(2728)2618156241353716(17(13)15)19(18)29212320(22)242521h211181926H1H3(H322232425)
MFCD18169895
N(2((3amino1H124triazol5yl)sulfanyl)12dihydroacenaphthylen1yl)4methylbenzenesulfonamide
N(2((5AMINO1H124TRIAZOL3YL)SULFANYL)12DIHYDROACENAPHTHYLEN1YL)4METHYLBENZENESULFONAMIDE
N(2((5amino4H124triazol3yl)thio)12dihydroacenaphthylen1yl)4methylbenzenesulfonamide
N(2(5AMINO4H(124)TRIAZOL3YLSULFANYL)ACENAPHTHEN1YL)4METHYLBENZENESULFONAMIDE
ZINC000008685884
ZINC000013153444

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.