Vitas-M small molecule compound
2-{[(E)-(4-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL381310
SMILES COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1)/C=N/c1sc2c(c1C(=O)N)CCCC2
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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 C28H33N7O5S MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N7O5S/c1-37-21-16-18(17-30-25-23(24(29)36)19-4-2-3-5-22(19)41-25)6-7-20(21)40-28-32-26(34-8-12-38-13-9-34)31-27(33-28)35-10-14-39-15-11-35/h6-7,16-17H,2-5,8-15H2,1H3,(H2,29,36)/b30-17+InChIKey
NRVNDSCGUPCSLE-OCSSWDANSA-NSynonyms
2(((E)(4((46di(morpholin4yl)135triazin2yl)oxy)3methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
2((E)(4((46dimorpholin4yl135triazin2yl)oxy)3methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
COC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)N)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1)C=Nc1sc2c(c1C(=O)N)CCCC2
InChI=1SC28H33N7O5Sc137211618(17302523(24(29)36)19423522(19)4125)6720(21)40283226(348123813934)3127(3328)35101439151135h671617H25815H21H3(H22936)b3017+
MFCD06124445
ZINC000100383689
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