Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STL148880
SMILES COc1cccc(c1)n1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)nc2c(c1=O)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 C32H28N4O3S MW 548.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O3S/c1-39-22-11-8-10-21(17-22)36-30(38)24-13-4-5-14-25(24)33-31(36)40-19-26-34-28-23-12-3-2-9-20(23)18-32(15-6-7-16-32)27(28)29(37)35-26/h2-5,8-14,17H,6-7,15-16,18-19H2,1H3,(H,34,35,37)InChIKey
BPLLTEFTSKCBEZ-UHFFFAOYSA-NSynonyms
384352-27-62(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(3methoxyphenyl)quinazolin4(3H)one
2((3(3METHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
384352276
COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C6=CC=CC=C6CC57CCCC7
InChI=1SC32H28N4O3Sc139221181021(1722)3630(38)2413451425(24)3331(36)4019263428231232920(23)1832(15671632)27(28)29(37)3526h2581417H6715161819H21H3(H343537)
MFCD03811448
ZINC000001843351
ZINC01843351
ZINC1843351
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