Vitas-M small molecule compound
3,4,5-trimethoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK355513
SMILES COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C26H33N5O6S MW 543.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O6S/c1-35-22-15-18(16-23(36-2)24(22)37-3)25(32)27-26(38)30-13-11-28(12-14-30)19-7-8-20(31(33)34)21(17-19)29-9-5-4-6-10-29/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,32,38)InChIKey
HAOUVPMDWDLUBQ-UHFFFAOYSA-NSynonyms
345trimethoxyN((4(4nitro3(piperidin1yl)phenyl)piperazin1yl)carbonothioyl)benzamide
345TRIMETHOXYN((4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
345TRIMETHOXYN(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCCC4
COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
InChI=1SC26H33N5O6Sc135221518(1623(362)24(22)373)25(32)2726(38)30131128(121430)197820(31(33)34)21(1719)2995461029h781517H46914H213H3(H273238)
MFCD07144773
N((4(4NITRO3PIPERIDYLPHENYL)PIPERAZINYL)THIOXOMETHYL)(345TRIMETHOXYPHENYL)CARBOXAMIDE
ZINC000004125345
ZINC4125345
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.