Vitas-M small molecule compound
7-[2-(3,4-diethoxyphenyl)ethyl]-8,9-dimethyl-2-(thiophen-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945514
SMILES CCOc1cc(ccc1OCC)CCn1c(C)c(c2c1ncn1c2nc(n1)c1cccs1)C
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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 C25H27N5O2S MW 461.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O2S/c1-5-31-19-10-9-18(14-20(19)32-6-2)11-12-29-17(4)16(3)22-24(29)26-15-30-25(22)27-23(28-30)21-8-7-13-33-21/h7-10,13-15H,5-6,11-12H2,1-4H3InChIKey
PGRVEJVKTLXQSB-UHFFFAOYSA-NSynonyms
7(2(34diethoxyphenyl)ethyl)89dimethyl2(thiophen2yl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
CCOC1=C(C=C(C=C1)CCN2C(=C(C3=C2N=CN4C3=NC(=N4)C5=CC=CS5)C)C)OCC
InChI=1SC25H27N5O2Sc15311910918(1420(19)3262)11122917(4)16(3)2224(29)26153025(22)2723(2830)2187133321h7101315H561112H214H3
MFCD14830813
ZINC000015842381
ZINC15842381
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