Vitas-M small molecule compound
4-tert-butyl-3',7'-bis(4-methylphenyl)-3',4',6',7'-tetrahydro-2'H-spiro[cyclohexane-1,8'-pyrimido[6,1-b][1,3,5]thiadiazine]-9'-carbonitrile
Catalog ID
STK886866
SMILES N#CC1=C2SCN(CN2CN(C21CCC(CC2)C(C)(C)C)c1ccc(cc1)C)c1ccc(cc1)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 C30H38N4S MW 486.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4S/c1-22-6-10-25(11-7-22)33-19-32-20-34(26-12-8-23(2)9-13-26)30(27(18-31)28(32)35-21-33)16-14-24(15-17-30)29(3,4)5/h6-13,24H,14-17,19-21H2,1-5H3InChIKey
IRYOXKNEUDDGJY-UHFFFAOYSA-NSynonyms
4tertbutyl37bis(4methylphenyl)3467tetrahydro2Hspiro(cyclohexane18pyrimido(61b)(135)thiadiazine)9carbonitrile
4tertbutyl37bis(4methylphenyl)spiro(46dihydro2Hpyrimido(61b)(135)thiadiazine81cyclohexane)9carbonitrile
CC1=CC=C(C=C1)N2CN3CN(C4(CCC(CC4)C(C)(C)C)C(=C3SC2)C#N)C5=CC=C(C=C5)C
InChI=1SC30H38N4Sc12261025(11722)3319322034(2612823(2)91326)30(27(1831)28(32)352133)161424(151730)29(34)5h61324H14171921H215H3
MFCD10087488
ZINC000012250945
ZINC12250945
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