Vitas-M small molecule compound
2-{[(E)-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL505859
SMILES Cc1cc(C)nc(n1)Sc1ccc(cc1[N+](=O)[O-])/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2
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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 C28H25N5O3S2 MW 543.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3S2/c1-17-14-18(2)31-28(30-17)38-24-13-12-19(15-22(24)33(35)36)16-29-27-25(21-10-6-7-11-23(21)37-27)26(34)32-20-8-4-3-5-9-20/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,32,34)/b29-16+InChIKey
QOWHFDAOHBQVFI-MUFRIFMGSA-NSynonyms
2(((E)(4((46dimethylpyrimidin2yl)sulfanyl)3nitrophenyl)methylidene)amino)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2((~(E))(4(46dimethylpyrimidin2yl)sulfanyl3nitrophenyl)methylideneamino)~(N)phenyl4567tetrahydro1benzothiophene3carboxamide
9622462
InChI=1SC28H25N5O3S2c1171418(2)3128(3017)3824131219(1522(24)33(35)36)16292725(2110671123(21)3727)26(34)32208435920h35891216H671011H212H3(H3234)b2916+
MFCD03763288
ZINC000003771887
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