Vitas-M small molecule compound
ethyl (2E)-2-({(2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STK599506
SMILES CCOC(=O)c1s/c(=N/C(=O)/C(=C/c2ccc(cc2)C(C)C)/C#N)/[nH]c1C
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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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-5-26-19(25)17-13(4)22-20(27-17)23-18(24)16(11-21)10-14-6-8-15(9-7-14)12(2)3/h6-10,12H,5H2,1-4H3,(H,22,23,24)/b16-10+InChIKey
KOPRYAWHTLVLPW-MHWRWJLKSA-NSynonyms
469872-52-4469872524
CCOC(=O)C1=C(N=C(S1)NC(=O)C(=CC2=CC=C(C=C2)C(C)C)C#N)C
CCOC(=O)c1sc(=NC(=O)C(=Cc2ccc(cc2)C(C)C)C#N)(nH)c1C
ethyl(2E)2(((2E)2cyano3(4(propan2yl)phenyl)prop2enoyl)imino)4methyl23dihydro13thiazole5carboxylate
ETHYL2(((E)2CYANO3(4PROPAN2YLPHENYL)PROP2ENOYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2((2E)2CYANO3(4(METHYLETHYL)PHENYL)PROP2ENOYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC20H21N3O3Sc152619(25)1713(4)2220(2717)2318(24)16(1121)10146815(9714)12(2)3h61012H5H214H3(H222324)b1610+
MFCD07208496
ZINC000009013040
ZINC9013040
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