Vitas-M small molecule compound
3-{[(E)-anthracen-9-ylmethylidene]amino}-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK031515
SMILES CCc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2c1cccc2)CCCC3
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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 C27H23N3OS MW 437.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3OS/c1-2-24-29-26-25(21-13-7-8-14-23(21)32-26)27(31)30(24)28-16-22-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)22/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3/b28-16+InChIKey
VQDVPEUZVOLXPV-LQKURTRISA-NSynonyms
3(((E)anthracen9ylmethylidene)amino)2ethyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)anthracen9ylmethylideneamino)2ethyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=C5C=CC=CC5=CC6=CC=CC=C64
CCc1nc2sc3c(c2c(=O)n1N=Cc1c2ccccc2cc2c1cccc2)CCCC3
InChI=1SC27H23N3OSc1224292625(2113781423(21)3226)27(31)30(24)281622191153917(19)151810461220(18)22h369121516H2781314H21H3b2816+
MFCD03063358
STK031515
ZINC000009144573
ZINC33647627
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