Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL045851
SMILES COc1ccccc1n1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)nc2c(c1=O)C1(CCCCC1)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 C41H40N4O3S MW 668.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O3S/c1-48-31-18-8-7-17-30(31)45-38(47)34-36(29-16-6-4-14-27(29)24-41(34)19-9-2-10-20-41)44-39(45)49-25-32-42-35-28-15-5-3-13-26(28)23-40(21-11-12-22-40)33(35)37(46)43-32/h3-8,13-18H,2,9-12,19-25H2,1H3,(H,42,43,46)InChIKey
PNOHHJGNOLFWNZ-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHOXYPHENYL)2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCC9
InChI=1SC41H40N4O3Sc1483118871730(31)4538(47)3436(2916641427(29)2441(34)1992102041)4439(45)49253242352815531326(28)2340(2111122240)33(35)37(46)4332h381318H29121925H21H3(H424346)
MFCD03801795
ZINC000150451417
ZINC150451417
Check stock
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