Vitas-M small molecule compound
2-[(2-ethoxy-4-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK152688
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[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 C27H21N3O6S MW 515.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O6S/c1-2-35-24-13-18(10-11-23(24)36-17-21-8-4-3-7-20(21)15-28)14-25-26(31)29(27(32)37-25)16-19-6-5-9-22(12-19)30(33)34/h3-14H,2,16-17H2,1H3/b25-14+InChIKey
RTCBAGAHQZREHX-AFUMVMLFSA-NSynonyms
2((2ETHOXY4((3((3NITROPHENYL)METHYL)24DIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((2ethoxy4((E)(3((3nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzonitrile
2((2ETHOXY4((E)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OCC4=CC=CC=C4C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC27H21N3O6Sc1235241318(101123(24)361721843720(21)1528)142526(31)29(27(32)3725)161965922(1219)30(33)34h314H21617H21H3b2514+
MFCD03649506
ZINC000008722221
ZINC08722221
ZINC8722221
Check stock
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Check stock on Vitas-MAvailable files
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