Vitas-M small molecule compound

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

Catalog ID
STK542696
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)NC(=O)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 C30H32N4O3S MW 528.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S/c1-3-17-34-28(37)26-27(24-10-6-5-9-21(24)18-30(26)15-7-4-8-16-30)33-29(34)38-19-25(36)32-23-13-11-22(12-14-23)31-20(2)35/h3,5-6,9-14H,1,4,7-8,15-19H2,2H3,(H,31,35)(H,32,36)
InChIKey
UQMUARPSQMVOBO-UHFFFAOYSA-N
Synonyms
488795-32-0
488795320
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC30H32N4O3Sc13173428(37)2627(241065921(24)1830(26)157481630)3329(34)381925(36)3223131122(121423)3120(2)35h356914H14781519H22H3(H3135)(H3236)
MFCD03292759
N(4(acetylamino)phenyl)2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(4acetamidophenyl)2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(4ACETAMIDOPHENYL)2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001305798
ZINC01305798
ZINC1305798

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.