Vitas-M small molecule compound
7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-4-(2,3,4-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410184
SMILES COc1c(ccc(c1OC)OC)C1SCC(=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 C20H25N3O5S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S2/c1-26-13-5-4-12(16(27-2)17(13)28-3)18-15-19(21-14(24)10-30-18)23(22-20(15)25)11-6-8-29-9-7-11/h4-5,11,18H,6-10H2,1-3H3,(H,21,24)(H,22,25)InChIKey
YITQPUVNRXGZIB-UHFFFAOYSA-NSynonyms
1574471-68-31(thian4yl)4(234trimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574471683
7hydroxy1(tetrahydro2Hthiopyran4yl)4(234trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=C(C(=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4)OC)OC
COc1c(ccc(c1OC)OC)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC20H25N3O5S2c126135412(16(272)17(13)283)181519(2114(24)103018)23(2220(15)25)1168299711h451118H610H213H3(H2124)(H2225)
MFCD30706079
ZINC000096116715
ZINC000096116716
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