Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL410095
SMILES OC1=Nc2c(C(SC1)c1cc3cc4OCCOc4cc3nc1O)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 C24H26N4O6S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6S/c1-24(2)10-13(3-4-34-24)28-21-19(23(31)27-28)20(35-11-18(29)26-21)14-7-12-8-16-17(33-6-5-32-16)9-15(12)25-22(14)30/h7-9,13,20H,3-6,10-11H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKey
XZERLLXXMSJKRN-UHFFFAOYSA-N
Synonyms
1574403-47-6
1(22dimethyloxan4yl)4(7oxo36dihydro2H(14)dioxino(23g)quinolin8yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574403476
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=CC6=C(C=C5NC4=O)OCCO6)C(=O)N2)C
InChI=1SC24H26N4O6Sc124(2)1013(343424)282119(23(31)2728)20(351118(29)2621)1471281617(33653216)915(12)2522(14)30h791320H361011H212H3(H2530)(H2629)(H2731)
MFCD30706033
OC1=Nc2c(C(SC1)c1cc3cc4OCCOc4cc3nc1O)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117480
ZINC000096117483

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Available files

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