Vitas-M small molecule compound

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

Catalog ID
STK542789
SMILES Cc1ccc(cc1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)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 C38H35N3O2S MW 597.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35N3O2S/c1-27-19-21-31(22-20-27)41-36(43)34-35(32-18-10-9-13-28(32)25-38(34)23-11-4-12-24-38)39-37(41)44-26-33(42)40(29-14-5-2-6-15-29)30-16-7-3-8-17-30/h2-3,5-10,13-22H,4,11-12,23-26H2,1H3
InChIKey
KJXVPFGQTASOGT-UHFFFAOYSA-N
Synonyms

2((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)NNdiphenylacetamide
2((4oxo3(ptolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)NNdiphenylacetamide
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNDIPHENYLACETAMIDE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC38H35N3O2Sc127192131(222027)4136(43)3435(32181091328(32)2538(34)23114122438)3937(41)442633(42)40(29145261529)30167381730h235101322H411122326H21H3
MFCD03302768
ZINC000001902315
ZINC01902315
ZINC1902315

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Available files

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