Vitas-M small molecule compound

(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK563178
SMILES C[NH+](CCCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C

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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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-19(2)35-23-15-11-21(12-16-23)26(32)24-25(20-9-13-22(14-10-20)29(3,4)5)31(28(34)27(24)33)18-8-17-30(6)7/h9-16,19,25,32H,8,17-18H2,1-7H3/b26-24+
InChIKey
VBAWRWTUAMIYJX-SHHOIMCASA-N
Synonyms

(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
C(NH+)(CCCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)(C)C)O
InChI=1SC29H38N2O4c119(2)3523151121(121623)26(32)2425(2091322(141020)29(34)5)31(28(34)27(24)33)1881730(6)7h916192532H81718H217H3b2624+
MFCD09789091
ZINC000102518352
ZINC000102518362

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Available files

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