Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]butanamide
Catalog ID
STK758082
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)SC1=NC(=O)C(C(=O)N1)c1ccccc1
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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 C23H22N4O3S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S2/c1-2-16(19(28)25-22-15(12-24)14-10-6-7-11-17(14)31-22)32-23-26-20(29)18(21(30)27-23)13-8-4-3-5-9-13/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3,(H,25,28)(H,26,27,29,30)InChIKey
RYSMHDGOTOVGIN-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C(C(=O)N3)C4=CC=CC=C4
InChI=1SC23H22N4O3S2c1216(19(28)252215(1224)1410671117(14)3122)32232620(29)18(21(30)2723)138435913h35891618H2671011H21H3(H2528)(H26272930)
MFCD01305549
N(3cyano4567tetrahydro1benzothiophen2yl)2((46dioxo5phenyl1456tetrahydropyrimidin2yl)sulfanyl)butanamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((46dioxo5phenyl1Hpyrimidin2yl)sulfanyl)butanamide
ZINC000003666229
ZINC000003666230
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