Vitas-M small molecule compound
7-hydroxy-4-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL310619
SMILES OC1=Nc2c(C(SC1)c1cc3ccccc3n(c1=O)C)c(=O)[nH]n2C(C)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 C19H20N4O3S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O3S/c1-10(2)23-17-15(18(25)21-23)16(27-9-14(24)20-17)12-8-11-6-4-5-7-13(11)22(3)19(12)26/h4-8,10,16H,9H2,1-3H3,(H,20,24)(H,21,25)InChIKey
XJWULJWNBYVOJZ-UHFFFAOYSA-NSynonyms
1436001-29-41436001294
4(1methyl2oxoquinolin3yl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(1methyl2oxo12dihydroquinolin3yl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC4=CC=CC=C4N(C3=O)C)C(=O)N1
InChI=1SC19H20N4O3Sc110(2)231715(18(25)2123)16(27914(24)2017)12811645713(11)22(3)19(12)26h481016H9H213H3(H2024)(H2125)
MFCD28025628
OC1=Nc2c(C(SC1)c1cc3ccccc3n(c1=O)C)c(=O)(nH)n2C(C)C
ZINC000095473458
ZINC000095473459
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