Vitas-M small molecule compound
3-[5-(7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)furan-2-yl]benzoic acid
Catalog ID
STL247191
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(o1)c1cccc(c1)C(=O)O)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 C18H15N3O4S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4S/c1-9-15-16(26-8-14(22)19-17(15)21-20-9)13-6-5-12(25-13)10-3-2-4-11(7-10)18(23)24/h2-7,16H,8H2,1H3,(H,23,24)(H2,19,20,21,22)InChIKey
HPWJDTSYFIKZFI-UHFFFAOYSA-NSynonyms
1401585-63-41401585634
3(5(3methyl7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
3(5(7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
CC1=C2C(SCC(=O)N=C2NN1)C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O
InChI=1SC18H15N3O4Sc191516(26814(22)1917(15)21209)136512(2513)1032411(710)18(23)24h2716H8H21H3(H2324)(H219202122)
MFCD24860810
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(o1)c1cccc(c1)C(=O)O)C
ZINC000079485886
ZINC000079485889
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