Vitas-M small molecule compound

2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-4-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)butanenitrile

Catalog ID
STK361014
SMILES N#C/C(=c\1/[nH]c2c([nH]1)cccc2)/C(=O)CSc1nnc2n1c1ccccc1[nH]2

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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 C19H13N7OS MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N7OS/c20-9-11(17-21-12-5-1-2-6-13(12)22-17)16(27)10-28-19-25-24-18-23-14-7-3-4-8-15(14)26(18)19/h1-8,21-22H,10H2,(H,23,24)
InChIKey
LYCICPCPZMYDNQ-UHFFFAOYSA-N
Synonyms
731786-16-6
2(13dihydro2Hbenzimidazol2ylidene)3oxo4(9H(124)triazolo(43a)benzimidazol3ylsulfanyl)butanenitrile
2(13DIHYDROBENZIMIDAZOL2YLIDENE)3OXO4(3H(124)TRIAZOLO(43A)BENZIMIDAZOL1YLSULFANYL)BUTANENITRILE
4((9Hbenzo(45)imidazo(21c)(124)triazol3yl)thio)2(1Hbenzo(d)imidazol2(3H)ylidene)3oxobutanenitrile
4(9HYDRO124TRIAZOLO(45A)BENZIMIDAZOL3YLTHIO)2(3HYDROBENZIMIDAZOL2YLIDENE)3OXOBUTANENITRILE
731786166
C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NNC4=NC5=CC=CC=C5N43)N2
InChI=1SC19H13N7OSc20911(172112512613(12)2217)16(27)1028192524182314734815(14)26(18)19h182122H10H2(H2324)
MFCD04630733
N#CC(=c1(nH)c2c((nH)1)cccc2)C(=O)CSc1nnc2n1c1ccccc1(nH)2
ZINC000003355384
ZINC03355384
ZINC3355384

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Available files

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