Vitas-M small molecule compound

4-{3-[(1R,2R)-2-phenylcyclopropyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoic acid

Catalog ID
STL044899
SMILES OC(=O)c1ccc(cc1)n1c(n[nH]c1=S)[C@@H]1C[C@H]1c1ccccc1

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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 C18H15N3O2S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O2S/c22-17(23)12-6-8-13(9-7-12)21-16(19-20-18(21)24)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,20,24)(H,22,23)/t14-,15+/m0/s1
InChIKey
RQYKSGHOCVZJHV-LSDHHAIUSA-N
Synonyms
1212177-10-0
1212177100
4(3((1R2R)2PHENYLCYCLOPROPYL)5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
4(3((1R2R)2phenylcyclopropyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
C1C(C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI=1SC18H15N3O2Sc2217(23)126813(9712)2116(192018(21)24)151014(15)114213511h191415H10H2(H2024)(H2223)t1415+m0s1
MFCD18248514
OC(=O)c1ccc(cc1)n1c(n(nH)c1=S)(C@@H)1C(C@H)1c1ccccc1
ZINC000006276951
ZINC6276951

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Available files

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