Vitas-M small molecule compound
(4E)-4-[(pentanoyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Catalog ID
STK995680
SMILES CCCCC(=O)O/N=C/1\CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
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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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-2-3-11-16(24)26-22-14-9-7-8-13-17-19(27-18(13)14)21-15-10-5-4-6-12-23(15)20(17)25/h2-12H2,1H3/b22-14+InChIKey
VLJNMWLUAIMCLF-HYARGMPZSA-NSynonyms
356586-85-1(4E)4((pentanoyloxy)imino)2347891011octahydro(1)benzothieno(2345)pyrimido(12a)azepin13(1H)one
356586851
CCCCC(=O)ON=C1CCCC2=C1SC3=C2C(=O)N4CCCCCC4=N3
CCCCC(=O)ON=C1CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
InChI=1SC20H25N3O3Sc1231116(24)262214978131719(2718(13)14)2115105461223(15)20(17)25h212H21H3b2214+
MFCD00846561
ZINC000005308245
ZINC96586069
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