Vitas-M small molecule compound

1'-(3,4-dimethoxybenzyl)-8a'-hydroxyhexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione

Catalog ID
STL351353
SMILES COc1cc(ccc1OC)CN1C(=S)NC2(C3C1(O)CCCC3)CCCCC2

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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 C22H32N2O3S MW 404.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O3S/c1-26-17-10-9-16(14-18(17)27-2)15-24-20(28)23-21(11-5-3-6-12-21)19-8-4-7-13-22(19,24)25/h9-10,14,19,25H,3-8,11-13,15H2,1-2H3,(H,23,28)
InChIKey
ZVRGOXIIHCFNSS-UHFFFAOYSA-N
Synonyms
1010927-51-1
1((34dimethoxyphenyl)methyl)8ahydroxyspiro(34a5678hexahydroquinazoline41cyclohexane)2thione
1(34dimethoxybenzyl)8ahydroxyhexahydro1Hspiro(cyclohexane14quinazoline)2(3H)thione
1010927511
COC1=C(C=C(C=C1)CN2C(=S)NC3(CCCCC3)C4C2(CCCC4)O)OC
InChI=1SC22H32N2O3Sc1261710916(1418(17)272)152420(28)2321(115361221)198471322(1924)25h910141925H38111315H212H3(H2328)
MFCD12203255
ZINC000012391938
ZINC000012391941

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Available files

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