Vitas-M small molecule compound

4-[({[4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STK328702
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1c1ccccc1)C12CC3CC(C2)CC(C1)C3

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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c32-23(28-21-8-6-20(7-9-21)24(33)34)16-35-26-30-29-25(31(26)22-4-2-1-3-5-22)27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16H2,(H,28,32)(H,33,34)
InChIKey
NJFZBYDJVUIKPQ-UHFFFAOYSA-N
Synonyms
889949-20-6
4((((4phenyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5(1ADAMANTYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
889949206
C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=C(C=C6)C(=O)O
InChI=1SC27H28N4O3Sc3223(28218620(7921)24(33)34)163526302925(31(26)224213522)2713171018(1427)1219(1117)1527h191719H1016H2(H2832)(H3334)
MFCD06617314
ZINC000014945383
ZINC14945383

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Available files

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