Vitas-M small molecule compound
(4E)-4-{[(phenylcarbonyl)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
STK280180
SMILES O=C(c1ccccc1)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c26-21-18-15-10-7-11-16(24-28-22(27)14-8-3-1-4-9-14)19(15)29-20(18)23-17-12-5-2-6-13-25(17)21/h1,3-4,8-9H,2,5-7,10-13H2/b24-16+InChIKey
CXIYBFADLSLZGN-LFVJCYFKSA-NSynonyms
(4E)4(((phenylcarbonyl)oxy)imino)2347891011octahydro(1)benzothieno(2345)pyrimido(12a)azepin13(1H)one
C1CCC2=NC3=C(C4=C(S3)C(=NOC(=O)C5=CC=CC=C5)CCC4)C(=O)N2CC1
InChI=1SC22H21N3O3Sc262118151071116(242822(27)148314914)19(15)2920(18)2317125261325(17)21h13489H2571013H2b2416+
MFCD00822740
O=C(c1ccccc1)ON=C1CCCc2c1sc1c2c(=O)n2c(n1)CCCCC2
ZINC000000846132
ZINC04084316
ZINC4084316
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