Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL425356
SMILES OC1=Nc2c(C(SC1)c1cc3ccccc3n(c1=O)C)c(=O)[nH]n2C1CCOC(C1)(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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-23(2)11-14(8-9-31-23)27-20-18(21(29)25-27)19(32-12-17(28)24-20)15-10-13-6-4-5-7-16(13)26(3)22(15)30/h4-7,10,14,19H,8-9,11-12H2,1-3H3,(H,24,28)(H,25,29)InChIKey
BFYUGQNAMJZRFZ-UHFFFAOYSA-NSynonyms
1630902-97-41(22dimethyloxan4yl)4(1methyl2oxoquinolin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(1methyl2oxo12dihydroquinolin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1630902974
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=CC=CC=C5N(C4=O)C)C(=O)N2)C
InChI=1SC23H26N4O4Sc123(2)1114(893123)272018(21(29)2527)19(321217(28)2420)151013645716(13)26(3)22(15)30h47101419H891112H213H3(H2428)(H2529)
MFCD30709933
OC1=Nc2c(C(SC1)c1cc3ccccc3n(c1=O)C)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000218218979
ZINC000218219205
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