Vitas-M small molecule compound
3-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK804875
SMILES COc1ccc(cc1Br)/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C18H16BrN3O2S MW 418.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O2S/c1-24-14-7-6-11(8-13(14)19)9-21-22-10-20-17-16(18(22)23)12-4-2-3-5-15(12)25-17/h6-10H,2-5H2,1H3/b21-9+InChIKey
BTBUOSRATUXDPN-ZVBGSRNCSA-NSynonyms
359816-39-0(E)3((3bromo4methoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(3bromo4methoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3bromo4methoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
359816390
COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br
COc1ccc(cc1Br)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC18H16BrN3O2Sc124147611(813(14)19)9212210201716(18(22)23)12423515(12)2517h610H25H21H3b219+
MFCD02629743
ZINC000002337196
ZINC2337195
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