Vitas-M small molecule compound
6-tert-butyl-2-({(E)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL505073
SMILES N#Cc1c(/N=C/c2cc(ccc2N2CCN(CC2)C)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C
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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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-25(2,3)18-5-7-20-21(15-26)24(33-23(20)14-18)27-16-17-13-19(30(31)32)6-8-22(17)29-11-9-28(4)10-12-29/h6,8,13,16,18H,5,7,9-12,14H2,1-4H3/b27-16+InChIKey
FUHIAJOQQZGERY-JVWAILMASA-NSynonyms
6~(tert)butyl2((~(E))(2(4methylpiperazin1yl)5nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
6tertbutyl2(((E)(2(4methylpiperazin1yl)5nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
9625492
InChI=1SC25H31N5O2Sc125(23)18572021(1526)24(3323(20)1418)2716171319(30(31)32)6822(17)2911928(4)101229h68131618H5791214H214H3b2716+
MFCD05149986
ZINC000022576080
ZINC000022576083
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