Vitas-M small molecule compound
5-{4-[4-(3-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}-2-nitro-N-(2-phenylethyl)aniline
Catalog ID
STK777876
SMILES Cc1cccc(c1)c1csc(n1)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-21-6-5-9-23(18-21)26-20-36-28(30-26)32-16-14-31(15-17-32)24-10-11-27(33(34)35)25(19-24)29-13-12-22-7-3-2-4-8-22/h2-11,18-20,29H,12-17H2,1H3InChIKey
AYXMOBWJGKLLRH-UHFFFAOYSA-NSynonyms
5(4(4(3methylphenyl)13thiazol2yl)piperazin1yl)2nitroN(2phenylethyl)aniline
5(4(4(3METHYLPHENYL)13THIAZOL2YL)PIPERAZIN1YL)2NITRONPHENETHYLANILINE
CC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCCC5=CC=CC=C5
Cc1cccc(c1)c1csc(n1)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC28H29N5O2Sc12165923(1821)26203628(3026)32161431(151732)24101127(33(34)35)25(1924)291312227324822h211182029H1217H21H3
MFCD05855299
ZINC000012462868
ZINC12462868
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