Vitas-M small molecule compound
3-(7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)-7-methoxy-1-methylquinolin-2(1H)-one
Catalog ID
STK942234
SMILES COc1ccc2c(c1)n(C)c(=O)c(c2)C1SCC(=Nc2c1c(C)n[nH]2)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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-9-15-16(26-8-14(23)19-17(15)21-20-9)12-6-10-4-5-11(25-3)7-13(10)22(2)18(12)24/h4-7,16H,8H2,1-3H3,(H2,19,20,21,23)InChIKey
PTBNCINUIUSWCE-UHFFFAOYSA-NSynonyms
1224166-62-41224166624
3(7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)7methoxy1methylquinolin2(1H)one
4(7methoxy1methyl2oxoquinolin3yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C2C(SCC(=O)N=C2NN1)C3=CC4=C(C=C(C=C4)OC)N(C3=O)C
COc1ccc2c(c1)n(C)c(=O)c(c2)C1SCC(=Nc2c1c(C)n(nH)2)O
InChI=1SC18H18N4O3Sc191516(26814(23)1917(15)21209)126104511(253)713(10)22(2)18(12)24h4716H8H213H3(H219202123)
MFCD18180024
ZINC000044920964
ZINC000044920967
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