Vitas-M small molecule compound
1-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)-3-propan-2-ylthiourea
Catalog ID
STK592885
SMILES CC(NC(=S)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C
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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 C21H27N5O3S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3S/c1-12(2)22-19(30)23-14-7-8-15-13(10-14)11-21(16-6-5-9-26(15)16)17(27)24(3)20(29)25(4)18(21)28/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H2,22,23,30)InChIKey
FLCOCROZJMYCBQ-UHFFFAOYSA-NSynonyms
898916-14-81(13dimethyl246trioxo112333a46octahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinolin)7yl)3propan2ylthiourea
1(13dimethyl246trioxo22333a456octahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinolin)7yl)3isopropylthiourea
1(13dimethyl246trioxospiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)7yl)3propan2ylthiourea
898916148
CC(C)NC(=S)NC1=CC2=C(C=C1)N3CCCC3C4(C2)C(=O)N(C(=O)N(C4=O)C)C
InChI=1SC21H27N5O3Sc112(2)2219(30)2314781513(1014)1121(1665926(15)16)17(27)24(3)20(29)25(4)18(21)28h78101216H56911H214H3(H2222330)
MFCD07638432
ZINC000009433952
ZINC000009433953
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