Vitas-M small molecule compound
methyl 2-[({[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-ethylthiophene-3-carboxylate
Catalog ID
STK469967
SMILES CCOc1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1sc(cc1C(=O)OC)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 C21H24N4O4S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S2/c1-5-15-11-16(20(27)28-4)19(31-15)22-17(26)12-30-21-24-23-18(25(21)3)13-7-9-14(10-8-13)29-6-2/h7-11H,5-6,12H2,1-4H3,(H,22,26)InChIKey
HNUNHWMFWBOUMS-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OCC)C(=O)OC
InChI=1SC21H24N4O4S2c15151116(20(27)284)19(3115)2217(26)123021242318(25(21)3)137914(10813)2962h711H5612H214H3(H2226)
methyl2((((5(4ethoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)5ethylthiophene3carboxylate
methyl2((2((5(4ethoxyphenyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)5ethylthiophene3carboxylate
METHYL2(2(5(4ETHOXYPHENYL)4METHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD06072590
ZINC000020191748
ZINC20191748
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