Vitas-M small molecule compound
7-hydroxy-4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409588
SMILES COc1ccc(cc1)c1n[nH]cc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-29-14-4-2-12(3-5-14)18-15(10-22-24-18)19-17-20(23-16(27)11-31-19)26(25-21(17)28)13-6-8-30-9-7-13/h2-5,10,13,19H,6-9,11H2,1H3,(H,22,24)(H,23,27)(H,25,28)InChIKey
NTGMIFSLKLRDCS-UHFFFAOYSA-NSynonyms
1574364-96-71574364967
4(5(4methoxyphenyl)1Hpyrazol4yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(3(4methoxyphenyl)1Hpyrazol4yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=C(C=C1)C2=C(C=NN2)C3C4=C(NC(=O)CS3)N(NC4=O)C5CCSCC5
COc1ccc(cc1)c1n(nH)cc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC21H23N5O3S2c129144212(3514)1815(10222418)191720(2316(27)113119)26(2521(17)28)1368309713h25101319H6911H21H3(H2224)(H2327)(H2528)
MFCD30705792
ZINC000096117648
ZINC000096117649
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