Vitas-M small molecule compound

ethyl (2E)-3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate

Catalog ID
STK666001
SMILES CCOC(=O)/C(=C(/N)\C)/C(=O)CSc1nnc(n1c1ccccc1)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-3-29-21(28)19(15(2)23)18(27)14-30-22-25-24-20(16-10-6-4-7-11-16)26(22)17-12-8-5-9-13-17/h4-13H,3,14,23H2,1-2H3/b19-15+
InChIKey
MEVLAWCYBSNLIS-XDJHFCHBSA-N
Synonyms

CCOC(=O)C(=C(C)N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3
CCOC(=O)C(=C(N)C)C(=O)CSc1nnc(n1c1ccccc1)c1ccccc1
ethyl(2E)3amino2(((45diphenyl4H124triazol3yl)sulfanyl)acetyl)but2enoate
ETHYL(2E)3AMINO2(2(45DIPHENYL(124TRIAZOL3YLTHIO))ACETYL)BUT2ENOATE
ETHYL(E)3AMINO2(2((45DIPHENYL124TRIAZOL3YL)SULFANYL)ACETYL)BUT2ENOATE
InChI=1SC22H22N4O3Sc132921(28)19(15(2)23)18(27)143022252420(16106471116)26(22)17128591317h413H31423H212H3b1915+
MFCD05259442
ZINC000100163528
ZINC100163528

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Available files

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