Vitas-M small molecule compound
2-[(pyridin-2-ylmethyl)sulfanyl]-6-(thiophen-2-yl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335259
SMILES COc1cc(cc(c1OC)OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2n1nc(n2)SCc1ccccn1
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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 C28H27N5O4S2 MW 561.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S2/c1-35-21-13-17(14-22(36-2)26(21)37-3)25-24-19(11-16(12-20(24)34)23-8-6-10-38-23)30-27-31-28(32-33(25)27)39-15-18-7-4-5-9-29-18/h4-10,13-14,16,25H,11-12,15H2,1-3H3,(H,30,31,32)InChIKey
CGHMBMJQQSKYRO-UHFFFAOYSA-NSynonyms
2((pyridin2ylmethyl)sulfanyl)6(thiophen2yl)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(pyridin2ylmethylsulfanyl)6thiophen2yl9(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)N=C5N2NC(=N5)SCC6=CC=CC=N6
InChI=1SC28H27N5O4S2c135211317(1422(362)26(21)373)252419(1116(1220(24)34)2386103823)30273128(3233(25)27)39151874592918h41013141625H111215H213H3(H303132)
MFCD09963883
ZINC000101025575
ZINC000101025579
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