Vitas-M small molecule compound

7-hydroxy-4-(4-methoxynaphthalen-1-yl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL314078
SMILES COc1ccc(c2c1cccc2)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-11(2)23-19-17(20(25)22-23)18(27-10-16(24)21-19)14-8-9-15(26-3)13-7-5-4-6-12(13)14/h4-9,11,18H,10H2,1-3H3,(H,21,24)(H,22,25)
InChIKey
WTDOVCBZJKDUAG-UHFFFAOYSA-N
Synonyms
1435996-76-1
1435996761
4(4methoxynaphthalen1yl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4methoxynaphthalen1yl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C4=CC=CC=C34)OC)C(=O)N1
COc1ccc(c2c1cccc2)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O
InChI=1SC20H21N3O3Sc111(2)231917(20(25)2223)18(271016(24)2119)148915(263)13754612(13)14h491118H10H213H3(H2124)(H2225)
MFCD28030488
ZINC000095476075
ZINC000095476076

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Available files

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