Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-14-(4-methoxyphenyl)-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK270761
SMILES COc1ccc(cc1)C1c2c(ccc3c2cccc3)Oc2c1c1nc(nn1cn2)CSc1nc2c(s1)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 C31H21N5O2S2 MW 559.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21N5O2S2/c1-37-20-13-10-19(11-14-20)26-27-21-7-3-2-6-18(21)12-15-23(27)38-30-28(26)29-34-25(35-36(29)17-32-30)16-39-31-33-22-8-4-5-9-24(22)40-31/h2-15,17,26H,16H2,1H3InChIKey
MCUQIJIMLJZXOH-UHFFFAOYSA-NSynonyms
2((13benzothiazol2ylsulfanyl)methyl)14(4methoxyphenyl)14Hbenzo(56)chromeno(32e)(124)triazolo(15c)pyrimidine
2((benzo(d)thiazol2ylthio)methyl)14(4methoxyphenyl)14Hbenzo(56)chromeno(32e)(124)triazolo(15c)pyrimidine
COC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)CSC7=NC8=CC=CC=C8S7
InChI=1SC31H21N5O2S2c13720131019(111420)262721732618(21)121523(27)383028(26)293425(3536(29)173230)1639313322845924(22)4031h2151726H16H21H3
MFCD04194722
ZINC000098000093
ZINC000098000094
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