Vitas-M small molecule compound

ethyl 5-ethyl-2-[({[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate

Catalog ID
STK473738
SMILES CCOC(=O)c1cc(sc1NC(=O)CSc1nnc(n1C)c1csc(c1CC)C)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 C21H26N4O3S3 MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S3/c1-6-13-9-15(20(27)28-8-3)19(31-13)22-17(26)11-30-21-24-23-18(25(21)5)16-10-29-12(4)14(16)7-2/h9-10H,6-8,11H2,1-5H3,(H,22,26)
InChIKey
RCIPUEXTCNFRHT-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CSC(=C3CC)C)C(=O)OCC
ethyl5ethyl2((((5(4ethyl5methylthiophen3yl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl5ethyl2((2((5(4ethyl5methylthiophen3yl)4methyl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ETHYL5ETHYL2(2(5(4ETHYL5METHYL(3THIENYL))4METHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H26N4O3S3c1613915(20(27)2883)19(3113)2217(26)113021242318(25(21)5)16102912(4)14(16)72h910H6811H215H3(H2226)
MFCD06046177
ZINC000020191753
ZINC20191753

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Available files

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