Vitas-M small molecule compound
4-chloro-3-[5-(7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)furan-2-yl]benzoic acid
Catalog ID
STL310983
SMILES OC1=Nc2[nH]ncc2C(SC1)c1ccc(o1)c1cc(ccc1Cl)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 C17H12ClN3O4S MW 389.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O4S/c18-11-2-1-8(17(23)24)5-9(11)12-3-4-13(25-12)15-10-6-19-21-16(10)20-14(22)7-26-15/h1-6,15H,7H2,(H,23,24)(H2,19,20,21,22)InChIKey
OHEURALTYFBGCI-UHFFFAOYSA-NSynonyms
1401542-49-11401542491
4chloro3(5(7hydroxy46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
4chloro3(5(7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)furan2yl)benzoicacid
C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl
InChI=1SC17H12ClN3O4Sc1811218(17(23)24)59(11)123413(2512)15106192116(10)2014(22)72615h1615H7H2(H2324)(H219202122)
MFCD28025841
OC1=Nc2(nH)ncc2C(SC1)c1ccc(o1)c1cc(ccc1Cl)C(=O)O
ZINC000079493525
ZINC000079493527
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