Vitas-M small molecule compound

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

Catalog ID
STK467245
SMILES C=CCn1c(SCC(=O)Nc2sc(cc2C(=O)OCC)C)nnc1c1ccncc1

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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 C20H21N5O3S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S2/c1-4-10-25-17(14-6-8-21-9-7-14)23-24-20(25)29-12-16(26)22-18-15(11-13(3)30-18)19(27)28-5-2/h4,6-9,11H,1,5,10,12H2,2-3H3,(H,22,26)
InChIKey
KJCGNTIBEMTFTC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3
ethyl5methyl2((((4(prop2en1yl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ethyl5methyl2((2((4prop2enyl5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
ETHYL5METHYL2(2(4PROP2ENYL5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC20H21N5O3S2c14102517(1468219714)232420(25)291216(26)221815(1113(3)3018)19(27)2852h46911H151012H223H3(H2226)
MFCD06110849
ZINC000019638684
ZINC19638684

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Available files

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