Vitas-M small molecule compound

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

Catalog ID
STK697046
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccnc1

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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-3-11-25-18(15-5-4-10-21-12-15)23-24-20(25)29-13-17(26)22-16-8-6-14(7-9-16)19(27)28-2/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey
NBKQCXLOLKORSC-UHFFFAOYSA-N
Synonyms
578733-75-2
578733752
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3
InChI=1SC20H19N5O3Sc13112518(155410211215)232420(25)291317(26)22168614(7916)19(27)282h31012H11113H22H3(H2226)
methyl4((((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((4prop2enyl5pyridin3yl124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4(2((4(PROP2EN1YL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4allyl5(pyridin3yl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4PROP2ENYL5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03764159
ZINC000000974270
ZINC00974270
ZINC974270

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Available files

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