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-diphenylpropanamide
Catalog ID
STL441060
SMILES Cc1ccc(cc1)n1c(SC(C(=O)N(c2ccccc2)c2ccccc2)C)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 C39H37N3O2S MW 611.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O2S/c1-27-20-22-32(23-21-27)42-37(44)34-35(33-19-11-10-14-29(33)26-39(34)24-12-5-13-25-39)40-38(42)45-28(2)36(43)41(30-15-6-3-7-16-30)31-17-8-4-9-18-31/h3-4,6-11,14-23,28H,5,12-13,24-26H2,1-2H3InChIKey
QAIHTUIELUQOEH-UHFFFAOYSA-NSynonyms
2((3(4methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)NNdiphenylpropanamide
2(3(4METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNDIPHENYLPROPANAMIDE
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C(=O)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC39H37N3O2Sc127202232(232127)4237(44)3435(331911101429(33)2639(34)24125132539)4038(42)4528(2)36(43)41(30156371630)31178491831h34611142328H512132426H212H3
MFCD06243785
ZINC000101380629
ZINC000101380632
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