Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945317
SMILES CCOc1ccc(cc1)n1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(o1)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 C25H22N6O2S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O2S/c1-4-32-18-11-9-17(10-12-18)31-16(3)15(2)22-23(31)26-14-30-24(22)28-21(29-30)13-34-25-27-19-7-5-6-8-20(19)33-25/h5-12,14H,4,13H2,1-3H3InChIKey
JVCQVNDWTDAGJT-UHFFFAOYSA-NSynonyms
950433-89-32((13benzoxazol2ylsulfanyl)methyl)7(4ethoxyphenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
950433893
CCOC1=CC=C(C=C1)N2C(=C(C3=C2N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C)C
InChI=1SC25H22N6O2Sc14321811917(101218)3116(3)15(2)2223(31)26143024(22)2821(2930)1334252719756820(19)3325h51214H413H213H3
MFCD18180563
ZINC000021801398
ZINC21801398
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