Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409230
SMILES COc1cc(ccc1OC(C)C)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(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 C23H31N3O5S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O5S/c1-13(2)31-16-7-6-14(10-17(16)29-5)20-19-21(24-18(27)12-32-20)26(25-22(19)28)15-8-9-30-23(3,4)11-15/h6-7,10,13,15,20H,8-9,11-12H2,1-5H3,(H,24,27)(H,25,28)InChIKey
IVODNNWHUIIYIG-UHFFFAOYSA-NSynonyms
1574364-42-31(22dimethyloxan4yl)4(3methoxy4propan2yloxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(3methoxy4(propan2yloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574364423
CC(C)OC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C)OC
COc1cc(ccc1OC(C)C)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC23H31N3O5Sc113(2)31167614(1017(16)295)201921(2418(27)123220)26(2522(19)28)15893023(34)1115h6710131520H891112H215H3(H2427)(H2528)
MFCD30705614
ZINC000096117166
ZINC000096117169
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