Vitas-M small molecule compound

4-{3-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzoic acid

Catalog ID
STK694338
SMILES CC(Cc1n[nH]c(c1)c1nnc(n1c1ccc(cc1)C(=O)O)S)C

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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 C16H17N5O2S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O2S/c1-9(2)7-11-8-13(18-17-11)14-19-20-16(24)21(14)12-5-3-10(4-6-12)15(22)23/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,24)(H,22,23)
InChIKey
CXGMMQORWLUHFQ-UHFFFAOYSA-N
Synonyms

4(3(3(2METHYLPROPYL)1HPYRAZOL5YL)5SULFANYL4H124TRIAZOL4YL)BENZOICACID
4(3(5(2methylpropyl)1Hpyrazol3yl)5sulfanylidene1H124triazol4yl)benzoicacid
4(3(5(2METHYLPROPYL)2HPYRAZOL3YL)5SULFANYL124TRIAZOL4YL)BENZOICACID
CC(C)CC1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
CC(Cc1n(nH)c(c1)c1nnc(n1c1ccc(cc1)C(=O)O)S)C
InChI=1SC16H17N5O2Sc19(2)711813(181711)14192016(24)21(14)125310(4612)15(22)23h3689H7H212H3(H1718)(H2024)(H2223)
MFCD12034573
ZINC000035324141
ZINC35324141

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Available files

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