Vitas-M small molecule compound

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

Catalog ID
STK532566
SMILES O=c1[nH]c(CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccccc2)CCCCC4)nc2c1C1(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 C42H42N4O2S MW 666.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N4O2S/c47-38-34-36(31-18-8-6-16-29(31)24-41(34)20-10-2-11-21-41)43-33(44-38)27-49-40-45-37-32-19-9-7-17-30(32)25-42(22-12-3-13-23-42)35(37)39(48)46(40)26-28-14-4-1-5-15-28/h1,4-9,14-19H,2-3,10-13,20-27H2,(H,43,44,47)
InChIKey
DRMCXFFSPFEYEY-UHFFFAOYSA-N
Synonyms

3benzyl2(((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3benzyl2(((4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=NC6=C(C(=O)N5CC7=CC=CC=C7)C8(CCCCC8)CC9=CC=CC=C96
InChI=1SC42H42N4O2Sc47383436(3118861629(31)2441(34)20102112141)4333(4438)27494045373219971730(32)2542(22123132342)35(37)39(48)46(40)2628144151528h1491419H2310132027H2(H434447)
MFCD02988856
O=c1(nH)c(CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccccc2)CCCCC4)nc2c1C1(CCCCC1)Cc1c2cccc1
ZINC000150412587
ZINC150412587

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Available files

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