Vitas-M small molecule compound

4-(3-cyclopropyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzoic acid

Catalog ID
STK634867
SMILES OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1C1CC1

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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 C12H11N3O2S MW 261.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O2S/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)
InChIKey
NDKCZLNFOYBCQF-UHFFFAOYSA-N
Synonyms
1040708-21-1
1040708211
4(3CYCLOPROPYL5SULFANYL124TRIAZOL4YL)BENZOICACID
4(3cyclopropyl5sulfanylidene1H124triazol4yl)benzoicacid
4(3cyclopropyl5thioxo15dihydro4H124triazol4yl)benzoicacid
C1CC1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
InChI=1SC12H11N3O2Sc1611(17)8359(648)1510(7127)131412(15)18h37H12H2(H1418)(H1617)
MFCD18160536
OC(=O)c1ccc(cc1)n1c(=S)(nH)nc1C1CC1
ZINC000020720928
ZINC20720928

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Available files

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