Vitas-M small molecule compound

butyl 4-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate

Catalog ID
STK878555
SMILES CCCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)C)\C#N

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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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-4-5-14-32-27(31)22-10-12-24(13-11-22)29-17-23(16-28)26-30-25(18-33-26)21-8-6-20(7-9-21)15-19(2)3/h6-13,17-19,29H,4-5,14-15H2,1-3H3/b23-17+
InChIKey
BIASBTYNYLLRRZ-HAVVHWLPSA-N
Synonyms

butyl4(((E)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C
CCCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)CC(C)C)C#N
InChI=1SC27H29N3O2Sc145143227(31)22101224(131122)291723(1628)263025(183326)218620(7921)1519(2)3h613171929H451415H213H3b2317+
MFCD18170345
ZINC000040476986
ZINC40476986

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Available files

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