Vitas-M small molecule compound
(4Z)-4-({[(4-nitrophenyl)carbonyl]oxy}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
STK280179
SMILES O=C(c1ccc(cc1)[N+](=O)[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 C22H20N4O5S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S/c27-21-18-15-5-4-6-16(24-31-22(28)13-8-10-14(11-9-13)26(29)30)19(15)32-20(18)23-17-7-2-1-3-12-25(17)21/h8-11H,1-7,12H2/b24-16-InChIKey
AHBUSYPDHZWCNO-JLPGSUDCSA-NSynonyms
331760-74-8(4Z)4((((4nitrophenyl)carbonyl)oxy)imino)2347891011octahydro(1)benzothieno(2345)pyrimido(12a)azepin13(1H)one
331760748
C1CCC2=NC3=C(C4=C(S3)C(=NOC(=O)C5=CC=C(C=C5)(N+)(=O)(O))CCC4)C(=O)N2CC1
InChI=1SC22H20N4O5Sc2721181554616(243122(28)1381014(11913)26(29)30)19(15)3220(18)231772131225(17)21h811H1712H2b2416
MFCD00812295
O=C(c1ccc(cc1)(N+)(=O)(O))ON=C1CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
ZINC000000855393
ZINC00855392
ZINC855392
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