Vitas-M small molecule compound
7-hydroxy-4-[4-(2-methylpropoxy)phenyl]-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL319904
SMILES CC(COc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O)C
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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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-11(2)9-25-14-7-5-13(6-8-14)17-16-18(20-15(23)10-26-17)22(12(3)4)21-19(16)24/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,23)(H,21,24)InChIKey
SJDTUCDULZQBIU-UHFFFAOYSA-NSynonyms
1436000-85-91436000859
4(4(2methylpropoxy)phenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4(2methylpropoxy)phenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)COC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C
CC(COc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O)C
InChI=1SC19H25N3O3Sc111(2)925147513(6814)171618(2015(23)102617)22(12(3)4)2119(16)24h58111217H910H214H3(H2023)(H2124)
MFCD28029194
ZINC000095480422
ZINC000095480423
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