Vitas-M small molecule compound

methyl 2-[({[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-methylthiophene-3-carboxylate

Catalog ID
STK466876
SMILES C=CCn1c(SCC(=O)Nc2sc(cc2C(=O)OC)C)nnc1c1cc(Cl)ccc1OC

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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 C21H21ClN4O4S2 MW 493.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O4S2/c1-5-8-26-18(14-10-13(22)6-7-16(14)29-3)24-25-21(26)31-11-17(27)23-19-15(20(28)30-4)9-12(2)32-19/h5-7,9-10H,1,8,11H2,2-4H3,(H,23,27)
InChIKey
ODDNSQHVIRASPO-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=C(C=CC(=C3)Cl)OC)C(=O)OC
InChI=1SC21H21ClN4O4S2c1582618(141013(22)6716(14)293)242521(26)311117(27)231915(20(28)304)912(2)3219h57910H1811H224H3(H2327)
methyl2((((5(5chloro2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)5methylthiophene3carboxylate
methyl2((2((5(5chloro2methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)5methylthiophene3carboxylate
METHYL2(2(5(5CHLORO2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD06111575
ZINC000020344861
ZINC20344861

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Available files

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