Vitas-M small molecule compound

2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one

Catalog ID
STL045448
SMILES COc1ccc(cc1)n1c(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/c1-40-23-15-13-22(14-16-23)37-31(39)25-11-5-6-12-26(25)34-32(37)41-20-27-35-29-24-10-4-3-9-21(24)19-33(17-7-2-8-18-33)28(29)30(38)36-27/h3-6,9-16H,2,7-8,17-20H2,1H3,(H,35,36,38)
InChIKey
AMEXBIAJSDGUQS-UHFFFAOYSA-N
Synonyms

2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(4methoxyphenyl)quinazolin4(3H)one
2((3(4METHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C6=CC=CC=C6CC57CCCCC7
InChI=1SC33H30N4O3Sc14023151322(141623)3731(39)2511561226(25)3432(37)4120273529241043921(24)1933(177281833)28(29)30(38)3627h36916H2781720H21H3(H353638)
MFCD03804296
ZINC000001801020
ZINC01801020
ZINC1801020

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Available files

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