Vitas-M small molecule compound
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STK201500
SMILES N#C/C(=C/c1ccc(o1)Sc1nc2c([nH]1)cccc2)/c1cccc(c1)[N+](=O)[O-]
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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 C20H12N4O3S MW 388.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N4O3S/c21-12-14(13-4-3-5-15(10-13)24(25)26)11-16-8-9-19(27-16)28-20-22-17-6-1-2-7-18(17)23-20/h1-11H,(H,22,23)/b14-11-InChIKey
OBIXNTFBXCCLKV-KAMYIIQDSA-NSynonyms
(2E)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)2(3NITROPHENYL)PROP2ENENITRILE
(E)3(5(1HBENZIMIDAZOL2YLSULFANYL)FURAN2YL)2(3NITROPHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=C(C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H12N4O3Sc211214(1343515(1013)24(25)26)11168919(2716)28202217612718(17)2320h111H(H2223)b1411
MFCD05997830
N#CC(=Cc1ccc(o1)Sc1nc2c((nH)1)cccc2)c1cccc(c1)(N+)(=O)(O)
ZINC000001071309
ZINC01071309
ZINC1071309
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