Vitas-M small molecule compound
9-(4-methoxyphenyl)-7-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Catalog ID
STK790456
SMILES COc1ccc(cc1)c1c2c(ccn(c2=O)c2[nH]nc(n2)SC)nc2n1ncn2
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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 C18H14N8O2S MW 406.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N8O2S/c1-28-11-5-3-10(4-6-11)14-13-12(21-16-19-9-20-26(14)16)7-8-25(15(13)27)17-22-18(29-2)24-23-17/h3-9H,1-2H3,(H,22,23,24)InChIKey
VHIOMMNWXBDPOE-UHFFFAOYSA-NSynonyms
1144465-39-31144465393
9(4methoxyphenyl)7(3(methylsulfanyl)1H124triazol5yl)pyrido(43d)(124)triazolo(15a)pyrimidin8(7H)one
9(4methoxyphenyl)7(3(methylthio)1H124triazol5yl)pyrido(43d)(124)triazolo(15a)pyrimidin8(7H)one
COC1=CC=C(C=C1)C2=C3C(=NC4=NC=NN24)C=CN(C3=O)C5=NC(=NN5)SC
COc1ccc(cc1)c1c2c(ccn(c2=O)c2(nH)nc(n2)SC)nc2n1ncn2
InChI=1SC18H14N8O2Sc128115310(4611)141312(21161992026(14)16)7825(15(13)27)172218(292)242317h39H12H3(H222324)
MFCD12216658
ZINC000032101671
ZINC32101671
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