Vitas-M small molecule compound
4-{3-methoxy-2-[(3-methylbenzyl)oxy]phenyl}-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK929181
SMILES COc1cccc(c1OCc1cccc(c1)C)C1SCC(=Nc2c1c(C)n[nH]2)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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-13-6-4-7-15(10-13)11-28-20-16(8-5-9-17(20)27-3)21-19-14(2)24-25-22(19)23-18(26)12-29-21/h4-10,21H,11-12H2,1-3H3,(H2,23,24,25,26)InChIKey
DZPDGFOGLQKIHY-UHFFFAOYSA-NSynonyms
1031566-65-01031566650
4(3methoxy2((3methylbenzyl)oxy)phenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(3methoxy2((3methylphenyl)methoxy)phenyl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=CC(=CC=C1)COC2=C(C=CC=C2OC)C3C4=C(NNC4=NC(=O)CS3)C
COc1cccc(c1OCc1cccc(c1)C)C1SCC(=Nc2c1c(C)n(nH)2)O
InChI=1SC22H23N3O3Sc11364715(1013)11282016(85917(20)273)211914(2)242522(19)2318(26)122921h41021H1112H213H3(H223242526)
MFCD18176292
ZINC000021788338
ZINC000021788342
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