Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Catalog ID
STL148612
SMILES COc1ccccc1n1c(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 C33H30N4O3S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O3S/c1-40-26-16-8-7-15-25(26)37-31(39)23-13-5-6-14-24(23)34-32(37)41-20-27-35-29-22-12-4-3-11-21(22)19-33(17-9-2-10-18-33)28(29)30(38)36-27/h3-8,11-16H,2,9-10,17-20H2,1H3,(H,35,36,38)InChIKey
YXSNDKSEHJAFRQ-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(2methoxyphenyl)quinazolin4(3H)one
2((3(2METHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C6=CC=CC=C6CC57CCCCC7
InChI=1SC33H30N4O3Sc1402616871525(26)3731(39)2313561424(23)3432(37)41202735292212431121(22)1933(1792101833)28(29)30(38)3627h381116H29101720H21H3(H353638)
MFCD03813983
ZINC000001819377
ZINC01819377
ZINC1819377
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