Vitas-M small molecule compound
4-[(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(4-methoxyphenyl)benzamide
Catalog ID
STL131723
SMILES COc1ccc(cc1)NC(=O)c1ccc(cc1)Cn1c(=S)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC
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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 C26H22N4O4S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S/c1-33-18-9-7-17(8-10-18)27-24(31)16-5-3-15(4-6-16)14-30-25(32)23-22(29-26(30)35)20-13-19(34-2)11-12-21(20)28-23/h3-13,28H,14H2,1-2H3,(H,27,31)(H,29,35)InChIKey
IJPHXQPADYKKID-UHFFFAOYSA-NSynonyms
4((8methoxy4oxo2sulfanylidene15dihydropyrimido(54b)indol3yl)methyl)N(4methoxyphenyl)benzamide
4((8methoxy4oxo2thioxo1245tetrahydro3Hpyrimido(54b)indol3yl)methyl)N(4methoxyphenyl)benzamide
COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S
COc1ccc(cc1)NC(=O)c1ccc(cc1)Cn1c(=S)(nH)c2c(c1=O)(nH)c1c2cc(cc1)OC
InChI=1SC26H22N4O4Sc133189717(81018)2724(31)165315(4616)143025(32)2322(2926(30)35)201319(342)111221(20)2823h31328H14H212H3(H2731)(H2935)
MFCD14780988
ZINC000020331200
ZINC20331200
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