Vitas-M small molecule compound

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

Catalog ID
STK439953
SMILES C=CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1CCC1CCCCC1

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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 C21H28N4O3S2 MW 448.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S2/c1-3-12-25-17(10-9-15-7-5-4-6-8-15)23-24-21(25)30-14-18(26)22-19-16(11-13-29-19)20(27)28-2/h3,11,13,15H,1,4-10,12,14H2,2H3,(H,22,26)
InChIKey
YFFMAUWAYTYDCP-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC3CCCCC3
InChI=1SC21H28N4O3S2c13122517(109157546815)232421(25)301418(26)221916(11132919)20(27)282h3111315H14101214H22H3(H2226)
methyl2((((5(2cyclohexylethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL2((2((5(2CYCLOHEXYLETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL2(2(5(2CYCLOHEXYLETHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03946118
ZINC000019648044
ZINC19648044

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Available files

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