Vitas-M small molecule compound
3-methyl-4-nitro-N-(4-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}phenyl)benzamide
Catalog ID
STK254381
SMILES O=C(N1CCN(CC1)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])/C=C/c1ccccc1
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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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c1-20-19-22(8-13-25(20)31(34)35)27(33)28-23-9-11-24(12-10-23)29-15-17-30(18-16-29)26(32)14-7-21-5-3-2-4-6-21/h2-14,19H,15-18H2,1H3,(H,28,33)/b14-7+InChIKey
JGLCPQMGSCTWPH-VGOFMYFVSA-NSynonyms
3methyl4nitroN(4(4((2E)3phenylprop2enoyl)piperazin1yl)phenyl)benzamide
3methyl4nitroN(4(4((E)3phenylprop2enoyl)piperazin1yl)phenyl)benzamide
CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC27H26N4O4c1201922(81325(20)31(34)35)27(33)282391124(121023)29151730(181629)26(32)147215324621h21419H1518H21H3(H2833)b147+
MFCD07628611
O=C(N1CCN(CC1)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O))C=Cc1ccccc1
ZINC000009669101
ZINC09669101
ZINC9669101
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