Vitas-M small molecule compound
4-[5-(7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)furan-2-yl]benzoic acid
Catalog ID
STL313889
SMILES OC1=Nc2[nH]ncc2C(SC1)c1ccc(o1)c1ccc(cc1)C(=O)O
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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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c21-14-8-25-15(11-7-18-20-16(11)19-14)13-6-5-12(24-13)9-1-3-10(4-2-9)17(22)23/h1-7,15H,8H2,(H,22,23)(H2,18,19,20,21)InChIKey
KLAYPIQXCVDZCR-UHFFFAOYSA-NSynonyms
1401597-80-51401597805
4(5(7hydroxy46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
4(5(7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O
InChI=1SC17H13N3O4Sc211482515(117182016(11)1914)136512(2413)91310(429)17(22)23h1715H8H2(H2223)(H218192021)
MFCD28030381
OC1=Nc2(nH)ncc2C(SC1)c1ccc(o1)c1ccc(cc1)C(=O)O
ZINC000079486715
ZINC000079486720
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