Vitas-M small molecule compound
4-[7-hydroxy-3-oxo-1-(tetrahydro-2H-thiopyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
Catalog ID
STL411101
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)c(=O)[nH]n2C1CCSCC1
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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 C18H19N3O4S2 MW 405.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4S2/c22-13-9-27-15(10-1-3-11(4-2-10)18(24)25)14-16(19-13)21(20-17(14)23)12-5-7-26-8-6-12/h1-4,12,15H,5-9H2,(H,19,22)(H,20,23)(H,24,25)InChIKey
XDYZIDWHSGJJEQ-UHFFFAOYSA-NSynonyms
1574309-71-91574309719
4(37dioxo1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
4(7hydroxy3oxo1(tetrahydro2Hthiopyran4yl)2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)C(=O)O)C(=O)N2
InChI=1SC18H19N3O4S2c221392715(101311(4210)18(24)25)1416(1913)21(2017(14)23)1257268612h141215H59H2(H1922)(H2023)(H2425)
MFCD30706537
OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)c(=O)(nH)n2C1CCSCC1
ZINC000096118455
ZINC000096118456
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