Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL012020
SMILES N#Cc1c(NC(=O)CSc2nnc(n2c2ccccc2)CCCOc2ccc(cc2Cl)Cl)sc2c1CCCC2
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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 C28H25Cl2N5O2S2 MW 598.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25Cl2N5O2S2/c29-18-12-13-23(22(30)15-18)37-14-6-11-25-33-34-28(35(25)19-7-2-1-3-8-19)38-17-26(36)32-27-21(16-31)20-9-4-5-10-24(20)39-27/h1-3,7-8,12-13,15H,4-6,9-11,14,17H2,(H,32,36)InChIKey
AOQODENTVRBLLQ-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CCCOC5=C(C=C(C=C5)Cl)Cl)C#N
InChI=1SC28H25Cl2N5O2S2c2918121323(22(30)1518)371461125333428(35(25)197213819)381726(36)322721(1631)209451024(20)3927h1378121315H469111417H2(H3236)
MFCD03690978
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(3(24dichlorophenoxy)propyl)4phenyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(3(24dichlorophenoxy)propyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydrobenzo(b)thiophen2yl)2((5(3(24dichlorophenoxy)propyl)4phenyl4H124triazol3yl)thio)acetamide
ZINC000001848573
ZINC01848573
ZINC1848573
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