Vitas-M small molecule compound

2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

Catalog ID
STK557863
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)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 C29H28F3N3O2S MW 539.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28F3N3O2S/c1-2-15-35-26(37)24-25(22-12-5-4-9-19(22)17-28(24)13-6-3-7-14-28)34-27(35)38-18-23(36)33-21-11-8-10-20(16-21)29(30,31)32/h2,4-5,8-12,16H,1,3,6-7,13-15,17-18H2,(H,33,36)
InChIKey
KNZDWBCLNGOHJK-UHFFFAOYSA-N
Synonyms
585556-30-5
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(3(trifluoromethyl)phenyl)acetamide
2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
585556305
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC(=C5)C(F)(F)F
InChI=1SC29H28F3N3O2Sc12153526(37)2425(221254919(22)1728(24)136371428)3427(35)381823(36)33211181020(1621)29(3031)32h24581216H136713151718H2(H3336)
MFCD04028279
ZINC000002383667
ZINC2383667

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Available files

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