Vitas-M small molecule compound

2-tert-butyl 4-ethyl 5-({(Z)-2-cyano-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK803934
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccc3c2cccc3)/C#N)sc(c1C)C(=O)OC(C)(C)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 C29H27N3O4S2 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S2/c1-6-35-27(33)23-17(2)24(28(34)36-29(3,4)5)38-26(23)31-15-19(14-30)25-32-22(16-37-25)21-13-9-11-18-10-7-8-12-20(18)21/h7-13,15-16,31H,6H2,1-5H3/b19-15-
InChIKey
RHYQZKRBCPYYQM-CYVLTUHYSA-N
Synonyms

(E)2tertbutyl4ethyl5((2cyano2(4(naphthalen1yl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
2OTERTBUTYL4OETHYL5(((Z)2CYANO2(4NAPHTHALEN1YL13THIAZOL2YL)ETHENYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
2tertbutyl4ethyl5(((Z)2cyano2(4(naphthalen1yl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC=C(C#N)C2=NC(=CS2)C3=CC=CC4=CC=CC=C43
CCOC(=O)c1c(NC=C(c2scc(n2)c2cccc3c2cccc3)C#N)sc(c1C)C(=O)OC(C)(C)C
InChI=1SC29H27N3O4S2c163527(33)2317(2)24(28(34)3629(34)5)3826(23)311519(1430)253222(163725)21139111810781220(18)21h713151631H6H215H3b1915
MFCD18169517
ZINC000002361567
ZINC2361567

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Available files

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