Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Catalog ID
STL149566
SMILES CC(=C)Cn1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCCC2)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 C30H30N4O2S MW 510.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O2S/c1-19(2)17-34-28(36)22-12-6-7-13-23(22)31-29(34)37-18-24-32-26-21-11-5-4-10-20(21)16-30(14-8-3-9-15-30)25(26)27(35)33-24/h4-7,10-13H,1,3,8-9,14-18H2,2H3,(H,32,33,35)InChIKey
KYJRCWKAFJUFIE-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(2methylprop2en1yl)quinazolin4(3H)one
2((3(2METHYLPROP2ENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C5=CC=CC=C5CC46CCCCC6
InChI=1SC30H30N4O2Sc119(2)173428(36)2212671323(22)3129(34)37182432262111541020(21)1630(148391530)25(26)27(35)3324h471013H13891418H22H3(H323335)
MFCD03815516
ZINC000017179651
ZINC17179651
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