Vitas-M small molecule compound
N-[4-(acetylamino)phenyl]-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Catalog ID
STK549264
SMILES O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3
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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 C33H32N4O3S MW 564.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O3S/c1-21-8-7-10-26(18-21)37-31(40)29-30(27-11-4-3-9-23(27)19-33(29)16-5-6-17-33)36-32(37)41-20-28(39)35-25-14-12-24(13-15-25)34-22(2)38/h3-4,7-15,18H,5-6,16-17,19-20H2,1-2H3,(H,34,38)(H,35,39)InChIKey
JEMIGIOYOZECFH-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)NC6=CC=C(C=C6)NC(=O)C
InChI=1SC33H32N4O3Sc121871026(1821)3731(40)2930(271143923(27)1933(29)16561733)3632(37)412028(39)3525141224(131525)3422(2)38h3471518H5616171920H212H3(H3438)(H3539)
MFCD03690652
N(4(acetylamino)phenyl)2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
N(4acetamidophenyl)2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetamide
N(4ACETAMIDOPHENYL)2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000001876011
ZINC01876011
ZINC1876011
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