Vitas-M small molecule compound
3-{[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK370755
SMILES Brc1cc2OCOc2cc1/C=N/n1c(C)nc2c(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 C19H16BrN3O3S MW 446.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrN3O3S/c1-10-22-18-17(12-4-2-3-5-16(12)27-18)19(24)23(10)21-8-11-6-14-15(7-13(11)20)26-9-25-14/h6-8H,2-5,9H2,1H3/b21-8+InChIKey
GFTWSLRCYFMQQV-ODCIPOBUSA-NSynonyms
3(((E)(6bromo13benzodioxol5yl)methylidene)amino)2methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(6bromo13benzodioxol5yl)methylideneamino)2methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
Brc1cc2OCOc2cc1C=Nn1c(C)nc2c(c1=O)c1CCCCc1s2
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1N=CC4=CC5=C(C=C4Br)OCO5
InChI=1SC19H16BrN3O3Sc110221817(12423516(12)2718)19(24)23(10)2181161415(713(11)20)2692514h68H259H21H3b218+
MFCD00354502
ZINC000000827783
ZINC33341393
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