Vitas-M small molecule compound

2-(diethylamino)ethyl 4-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STK550101
SMILES CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N)CC

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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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-3-32(4-2)13-14-35-27(33)19-9-11-22(12-10-19)30-17-21(16-29)26-31-24(18-37-26)23-15-20-7-5-6-8-25(20)36-28(23)34/h5-12,15,17-18,30H,3-4,13-14H2,1-2H3/b21-17-
InChIKey
DQKZJWRVKSOGPV-FXBPSFAMSA-N
Synonyms
799770-72-2
(Z)2(diethylamino)ethyl4((2cyano2(4(2oxo2Hchromen3yl)thiazol2yl)vinyl)amino)benzoate
2(diethylamino)ethyl4(((Z)2cyano2(4(2oxo2Hchromen3yl)13thiazol2yl)ethenyl)amino)benzoate
2(diethylamino)ethyl4(((Z)2cyano2(4(2oxochromen3yl)13thiazol2yl)ethenyl)amino)benzoate
2DIETHYLAMINOETHYL4(((Z)2CYANO2(4(2OXOCHROMEN3YL)13THIAZOL2YL)ETHENYL)AMINO)BENZOATE
799770722
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O
CCN(CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1cc2ccccc2oc1=O)C#N)CC
InChI=1SC28H26N4O4Sc1332(42)13143527(33)1991122(121019)301721(1629)263124(183726)231520756825(20)3628(23)34h51215171830H341314H212H3b2117
MFCD03671570
ZINC000020170676
ZINC20170676

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.