Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407597
SMILES COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O)OC
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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 C22H29N3O6S MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6S/c1-22(2)10-12(6-7-31-22)25-20-18(21(27)24-25)19(32-11-17(26)23-20)13-8-15(29-4)16(30-5)9-14(13)28-3/h8-9,12,19H,6-7,10-11H2,1-5H3,(H,23,26)(H,24,27)InChIKey
YEMVKNLCTISTPG-UHFFFAOYSA-NSynonyms
1574409-26-91(22dimethyloxan4yl)4(245trimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(245trimethoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574409269
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4OC)OC)OC)C(=O)N2)C
COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)OC
InChI=1SC22H29N3O6Sc122(2)1012(673122)252018(21(27)2425)19(321117(26)2320)13815(294)16(305)914(13)283h891219H671011H215H3(H2326)(H2427)
MFCD30704820
ZINC000096117031
ZINC000096117034
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