Vitas-M small molecule compound
7-hydroxy-1-(pentan-3-yl)-4-[4-(propan-2-yloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL043649
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC(C)C)CC
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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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-5-14(6-2)23-19-17(20(25)22-23)18(27-11-16(24)21-19)13-7-9-15(10-8-13)26-12(3)4/h7-10,12,14,18H,5-6,11H2,1-4H3,(H,21,24)(H,22,25)InChIKey
QPSJAJKJWQSERD-UHFFFAOYSA-NSynonyms
578744-01-11PENTAN3YL4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
578744011
7hydroxy1(pentan3yl)4(4(propan2yloxy)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC(C)C)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC(C)C)CC
InChI=1SC20H27N3O3Sc1514(62)231917(20(25)2223)18(271116(24)2119)137915(10813)2612(3)4h710121418H5611H214H3(H2124)(H2225)
MFCD04079310
ZINC000005642616
ZINC000005642660
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