Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STL046606
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2)CCCC4)nc2c1C1(CCCC1)Cc1c2cccc1
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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 C39H36N4O2S MW 624.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N4O2S/c44-35-31-33(28-16-6-4-12-25(28)22-38(31)18-8-9-19-38)40-30(41-35)24-46-37-42-34-29-17-7-5-13-26(29)23-39(20-10-11-21-39)32(34)36(45)43(37)27-14-2-1-3-15-27/h1-7,12-17H,8-11,18-24H2,(H,40,41,44)InChIKey
RXNUDFDDDFDSOH-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3phenyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=NC6=C(C(=O)N5C7=CC=CC=C7)C8(CCCC8)CC9=CC=CC=C96
InChI=1SC39H36N4O2Sc44353133(2816641225(28)2238(31)18891938)4030(4135)24463742342917751326(29)2339(2010112139)32(34)36(45)43(37)27142131527h171217H8111824H2(H404144)
MFCD03818005
ZINC000102880349
ZINC102880349
Check stock
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