Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK565475
SMILES C=CCn1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCCC2)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 C38H40N4O2S MW 616.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N4O2S/c1-2-21-42-35(44)31-33(28-16-8-6-14-26(28)23-38(31)19-11-4-12-20-38)41-36(42)45-24-29-39-32-27-15-7-5-13-25(27)22-37(17-9-3-10-18-37)30(32)34(43)40-29/h2,5-8,13-16H,1,3-4,9-12,17-24H2,(H,39,40,43)InChIKey
ZPMCQBHSMNKVOF-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCCC8
InChI=1SC38H40N4O2Sc12214235(44)3133(2816861426(28)2338(31)19114122038)4136(42)45242939322715751325(27)2237(1793101837)30(32)34(43)4029h2581316H1349121724H2(H394043)
MFCD03814668
ZINC000101232330
ZINC101232330
Check stock
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Check stock on Vitas-MAvailable files
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